N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide

C19H15N5O — CID 10149852

IUPACN-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide
SMILESNc1ccc(-c2nc3ccc(NC(=O)c4ccccn4)cc3[nH]2)cc1
InChIInChI=1S/C19H15N5O/c20-13-6-4-12(5-7-13)18-23-15-9-8-14(11-17(15)24-18)22-19(25)16-3-1-2-10-21-16/h1-11H,20H2,(H,22,25)(H,23,24)
InChIKeyRPEMOCZBXQDKAJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.46
Rot. Bonds3

About N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide

N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide (PubChem CID 10149852) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide
PubChem CID10149852
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide
SMILESNc1ccc(-c2nc3ccc(NC(=O)c4ccccn4)cc3[nH]2)cc1
InChIInChI=1S/C19H15N5O/c20-13-6-4-12(5-7-13)18-23-15-9-8-14(11-17(15)24-18)22-19(25)16-3-1-2-10-21-16/h1-11H,20H2,(H,22,25)(H,23,24)
InChIKeyRPEMOCZBXQDKAJ-UHFFFAOYSA-N
XLogP3.46
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide
CID 142813059
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
2-(4-aminophenyl)-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 23730002
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368586
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-2-carboxamide
CID 110793292
4-amino-N-[2-[4-(ethylcarbamoylamino)phenyl]-3H-benzimidazol-5-yl]benzamide;dihydrochloride
CID 139827099
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide
CID 122156351
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide (CID 10149852) is N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide is Nc1ccc(-c2nc3ccc(NC(=O)c4ccccn4)cc3[nH]2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide?
The InChIKey is RPEMOCZBXQDKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-13-6-4-12(5-7-13)18-23-15-9-8-14(11-17(15)24-18)22-19(25)16-3-1-2-10-21-16/h1-11H,20H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide?
N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 10149852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).