N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen

C22H25N5O — CID 155698794

IUPACN-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen
SMILES[H]/N=C(\c1ccccc1)c1cc(NC(=O)c2cc3nc[nH]c3cc2C)ccc1N.[H][H].[H][H].[H][H]
InChIInChI=1S/C22H19N5O.3H2/c1-13-9-19-20(26-12-25-19)11-16(13)22(28)27-15-7-8-18(23)17(10-15)21(24)14-5-3-2-4-6-14;;;/h2-12,24H,23H2,1H3,(H,25,26)(H,27,28);3*1H/b24-21+;;;
InChIKeyYMIYFHWGVKRLIZ-OJJJHMAZSA-N
MW375.48 g/mol
LogP4.86
Rot. Bonds4

About N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen

N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen (PubChem CID 155698794) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen
PubChem CID155698794
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen
SMILES[H]/N=C(\c1ccccc1)c1cc(NC(=O)c2cc3nc[nH]c3cc2C)ccc1N.[H][H].[H][H].[H][H]
InChIInChI=1S/C22H19N5O.3H2/c1-13-9-19-20(26-12-25-19)11-16(13)22(28)27-15-7-8-18(23)17(10-15)21(24)14-5-3-2-4-6-14;;;/h2-12,24H,23H2,1H3,(H,25,26)(H,27,28);3*1H/b24-21+;;;
InChIKeyYMIYFHWGVKRLIZ-OJJJHMAZSA-N
XLogP4.86
TPSA107.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen
CID 155698826
3,4-diamino-N-[4-amino-3-(pyridine-4-carboximidoyl)phenyl]-2-methylbenzamide
CID 155134753
(6Z)-1-amino-N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-(aminomethylidene)-4-methylpyridine-3-carboxamide
CID 155134088
6-[(4-methylphenyl)carbamoyl]-3H-benzimidazole-5-carboxylic acid
CID 123402991
N-(3H-benzimidazol-5-yl)-2-fluorobenzamide
CID 110724315
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 155135058
N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
CID 115161081
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide
CID 155481757
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen?
The IUPAC name of N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen (CID 155698794) is N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen?
The canonical SMILES for N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen is [H]/N=C(\c1ccccc1)c1cc(NC(=O)c2cc3nc[nH]c3cc2C)ccc1N.[H][H].[H][H].[H][H].
What is the InChIKey of N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen?
The InChIKey is YMIYFHWGVKRLIZ-OJJJHMAZSA-N. The full InChI is InChI=1S/C22H19N5O.3H2/c1-13-9-19-20(26-12-25-19)11-16(13)22(28)27-15-7-8-18(23)17(10-15)21(24)14-5-3-2-4-6-14;;;/h2-12,24H,23H2,1H3,(H,25,26)(H,27,28);3*1H/b24-21+;;;.
What are the key properties of N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen?
N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen has a molecular weight of 375.48 g/mol, XLogP of 4.86, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 155698794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).