1H-Benzimidazole-5-carboximidamide, 2-(5-(4-(amino((1-methylethyl)imino)methyl)phenyl)-2-furanyl)-N-(1-methylethyl)-
Basic information
- CAS
216308-21-3- Standard SMILES
CC(C)N=C(N)c1ccc(-c2ccc(-c3nc4ccc(C(N)=NC(C)C)cc4[nH]3)o2)cc1- InChIKey
DQVBVVUZUSBLHW-UHFFFAOYSA-N- Molecular formula
- C25H28N6O
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.23245954
Names & identifiers
- Preferred name
- 1H-Benzimidazole-5-carboximidamide, 2-(5-(4-(amino((1-methylethyl)imino)methyl)phenyl)-2-furanyl)-N-(1-methylethyl)-
- IUPAC
- N'-propan-2-yl-2-[5-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
Names & synonyms
216308-21-31H-Benzimidazole-5-carboximidamide, 2-(5-(4-(amino((1-methylethyl)imino)methyl)phenyl)-2-furanyl)-N-(1-methylethyl)-2-(5-N-isopropylamidino-2-benzimidazolyl)-5-(4-N-isopropylamidinophenyl)furan1H-Benzimidazole-5-carboximidamide, 2-[5-[4-[amino[(1-methylethyl)imino]methyl]phenyl]-2-furanyl]-N-(1-methylethyl)-CHEMBL127493DTXSID501760221H-Benzimidazole-5-carboximidamide, 2-[5-[4-[imino[(1-methylethyl)amino]methyl]phenyl]-2-furanyl]-N-(1-methylethyl)-N'-(Propan-2-yl)-2-(5-{4-[N'-(propan-2-yl)carbamimidoyl]phenyl}furan-2-yl)-1H-1,3-benzimidazole-6-carboximidamideN-isopropyl-2-[5-[4-(N-isopropylcarbamimidoyl)phenyl]-2-furyl]-1H-benzimidazole-5-carboxamidineN-isopropyl-2-[5-[4-(N-isopropylcarbamimidoyl)phenyl]-2-furyl]-3H-benzimidazole-5-carboxamidine
Database identifiers
- CAS
216308-21-3- PubChem CID
- 459928
- DTXSID
DTXSID50176022- ChEMBL
CHEMBL127493- Nikkaji
- J1.016.181I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 684
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Compound notes
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