3-amino-N-(1H-benzimidazol-2-yl)benzamide

C14H12N4O — CID 62060005

IUPAC3-amino-N-(1H-benzimidazol-2-yl)benzamide
SMILESNc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H12N4O/c15-10-5-3-4-9(8-10)13(19)18-14-16-11-6-1-2-7-12(11)17-14/h1-8H,15H2,(H2,16,17,18,19)
InChIKeyCFFLEGIJOYQQEX-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.40
Rot. Bonds2

About 3-amino-N-(1H-benzimidazol-2-yl)benzamide

3-amino-N-(1H-benzimidazol-2-yl)benzamide (PubChem CID 62060005) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-amino-N-(1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(1H-benzimidazol-2-yl)benzamide
PubChem CID62060005
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-amino-N-(1H-benzimidazol-2-yl)benzamide
SMILESNc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C14H12N4O/c15-10-5-3-4-9(8-10)13(19)18-14-16-11-6-1-2-7-12(11)17-14/h1-8H,15H2,(H2,16,17,18,19)
InChIKeyCFFLEGIJOYQQEX-UHFFFAOYSA-N
XLogP2.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-cyanobenzamide
CID 2635761
2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 63565075
2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide
CID 62873677
3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide
CID 63565379
N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 30476399
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 2583610
N-(1H-benzimidazol-2-yl)-3-(phenylsulfamoyl)benzamide
CID 155294875
5-amino-N-(1H-benzimidazol-2-yl)pyridine-2-carboxamide
CID 81316691
N-(1H-benzimidazol-2-yl)-4-(carbamoylamino)benzamide
CID 2477191
4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 115730029
2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide
CID 63565380

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-benzimidazol-2-yl)benzamide?
The IUPAC name of 3-amino-N-(1H-benzimidazol-2-yl)benzamide (CID 62060005) is 3-amino-N-(1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for 3-amino-N-(1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for 3-amino-N-(1H-benzimidazol-2-yl)benzamide is Nc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 3-amino-N-(1H-benzimidazol-2-yl)benzamide?
The InChIKey is CFFLEGIJOYQQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-10-5-3-4-9(8-10)13(19)18-14-16-11-6-1-2-7-12(11)17-14/h1-8H,15H2,(H2,16,17,18,19).
What are the key properties of 3-amino-N-(1H-benzimidazol-2-yl)benzamide?
3-amino-N-(1H-benzimidazol-2-yl)benzamide has a molecular weight of 252.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 62060005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).