N-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine

C23H19N5 — CID 122510644

IUPACN-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine
SMILESc1ccc(CNc2nc3ccc(-c4nc[nH]c4-c4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C23H19N5/c1-3-7-16(8-4-1)14-24-23-27-19-12-11-18(13-20(19)28-23)22-21(25-15-26-22)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,25,26)(H2,24,27,28)
InChIKeyXAIRJJRQUDLDMP-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.23
Rot. Bonds5

About N-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine

N-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine (PubChem CID 122510644) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine
PubChem CID122510644
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC NameN-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine
SMILESc1ccc(CNc2nc3ccc(-c4nc[nH]c4-c4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C23H19N5/c1-3-7-16(8-4-1)14-24-23-27-19-12-11-18(13-20(19)28-23)22-21(25-15-26-22)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,25,26)(H2,24,27,28)
InChIKeyXAIRJJRQUDLDMP-UHFFFAOYSA-N
XLogP5.23
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-[(3-fluorophenyl)methyl]-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82564643
6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
N-benzyl-1H-imidazol-2-amine
CID 12847936
3-(5-phenyl-1H-imidazol-4-yl)quinoline
CID 50948318
N-benzyl-3H-benzimidazol-5-amine
CID 53441479
6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine
CID 45021337
5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine
CID 15230291
2-[(3,5-dichlorophenyl)methylamino]-3H-benzimidazole-5-carboxylic acid
CID 82564583
1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one
CID 23581428

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine (CID 122510644) is N-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine is c1ccc(CNc2nc3ccc(-c4nc[nH]c4-c4ccccc4)cc3[nH]2)cc1.
What is the InChIKey of N-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine?
The InChIKey is XAIRJJRQUDLDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-3-7-16(8-4-1)14-24-23-27-19-12-11-18(13-20(19)28-23)22-21(25-15-26-22)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,25,26)(H2,24,27,28).
What are the key properties of N-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine?
N-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine has a molecular weight of 365.44 g/mol, XLogP of 5.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(5-phenyl-1H-imidazol-4-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 122510644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).