2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide

C15H14N4O2 — CID 115413254

IUPAC2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3[nH]2)c(N)c1
InChIInChI=1S/C15H14N4O2/c1-21-9-6-7-10(11(16)8-9)14(20)19-15-17-12-4-2-3-5-13(12)18-15/h2-8H,16H2,1H3,(H2,17,18,19,20)
InChIKeyGHKITHSQTTWAPR-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.41
Rot. Bonds3

About 2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide

2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide (PubChem CID 115413254) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
PubChem CID115413254
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3[nH]2)c(N)c1
InChIInChI=1S/C15H14N4O2/c1-21-9-6-7-10(11(16)8-9)14(20)19-15-17-12-4-2-3-5-13(12)18-15/h2-8H,16H2,1H3,(H2,17,18,19,20)
InChIKeyGHKITHSQTTWAPR-UHFFFAOYSA-N
XLogP2.41
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.41
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-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide
CID 78987804
N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide
CID 24505737
N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 27649329
N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 35808128
N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
CID 106505887
N-[1-(1H-benzimidazol-2-ylamino)-1-oxopentan-2-yl]-4-methoxy-2-methylbenzamide
CID 53199853
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide
CID 53011843
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide
CID 53199724
2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide
CID 63565257
2-amino-4-methoxy-N-naphthalen-1-ylbenzamide
CID 82546437

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide?
The IUPAC name of 2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide (CID 115413254) is 2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)c(N)c1.
What is the InChIKey of 2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide?
The InChIKey is GHKITHSQTTWAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-9-6-7-10(11(16)8-9)14(20)19-15-17-12-4-2-3-5-13(12)18-15/h2-8H,16H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide?
2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide has a molecular weight of 282.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 115413254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).