3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide

C16H15N3O2 — CID 90027418

IUPAC3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2nc3ccccc3[nH]2)c1OC
InChIInChI=1S/C16H15N3O2/c1-17-16(20)11-7-5-6-10(14(11)21-2)15-18-12-8-3-4-9-13(12)19-15/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeySGJSSPXEKKJPEX-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.60
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide

3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide (PubChem CID 90027418) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide
PubChem CID90027418
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2nc3ccccc3[nH]2)c1OC
InChIInChI=1S/C16H15N3O2/c1-17-16(20)11-7-5-6-10(14(11)21-2)15-18-12-8-3-4-9-13(12)19-15/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeySGJSSPXEKKJPEX-UHFFFAOYSA-N
XLogP2.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid
CID 90027807
2-(1H-benzimidazol-2-yl)benzamide
CID 23510026
N-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17104338
2-(1H-benzimidazol-2-yl)benzoate;copper(1+)
CID 174857588
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide
CID 19166734
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
CID 2234702
2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370419
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide
CID 1213552
methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate
CID 68519685

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide (CID 90027418) is 3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide is CNC(=O)c1cccc(-c2nc3ccccc3[nH]2)c1OC.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide?
The InChIKey is SGJSSPXEKKJPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-17-16(20)11-7-5-6-10(14(11)21-2)15-18-12-8-3-4-9-13(12)19-15/h3-9H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide?
3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide has a molecular weight of 281.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 90027418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).