N-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide

C20H17N5O2 — CID 46843856

IUPACN-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide
SMILESCOc1ccnc(-c2nc3c(C(=O)Nc4ccccc4N)cccc3[nH]2)c1
InChIInChI=1S/C20H17N5O2/c1-27-12-9-10-22-17(11-12)19-23-16-8-4-5-13(18(16)25-19)20(26)24-15-7-3-2-6-14(15)21/h2-11H,21H2,1H3,(H,23,25)(H,24,26)
InChIKeyLUKDZVHZDPLKSO-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.47
Rot. Bonds4

About N-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide

N-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide (PubChem CID 46843856) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide
PubChem CID46843856
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide
SMILESCOc1ccnc(-c2nc3c(C(=O)Nc4ccccc4N)cccc3[nH]2)c1
InChIInChI=1S/C20H17N5O2/c1-27-12-9-10-22-17(11-12)19-23-16-8-4-5-13(18(16)25-19)20(26)24-15-7-3-2-6-14(15)21/h2-11H,21H2,1H3,(H,23,25)(H,24,26)
InChIKeyLUKDZVHZDPLKSO-UHFFFAOYSA-N
XLogP3.47
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-methyl-1H-benzimidazole-4-carbonyl)amino]benzoate
CID 110701106
N-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide
CID 135936848
2-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 5274836
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
2-amino-4-methoxy-N-naphthalen-1-ylbenzamide
CID 82546437
N-(2-aminophenyl)-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]-sulfanylmethyl]benzamide
CID 87078482
N-(2,4-dimethoxyphenyl)phenazine-1-carboxamide
CID 16824395
methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate
CID 115357602
N-(1H-imidazol-2-yl)-2-[[6-(4-methoxyphenyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxamide
CID 67891546
2-amino-N-(2-carbamoylphenyl)-5-methoxybenzamide
CID 60955502
3-amino-2-chloro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115930606

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide (CID 46843856) is N-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide is COc1ccnc(-c2nc3c(C(=O)Nc4ccccc4N)cccc3[nH]2)c1.
What is the InChIKey of N-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is LUKDZVHZDPLKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-27-12-9-10-22-17(11-12)19-23-16-8-4-5-13(18(16)25-19)20(26)24-15-7-3-2-6-14(15)21/h2-11H,21H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide?
N-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 46843856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).