2-methyl-N-propyl-3H-benzimidazole-5-carboxamide

C12H15N3O — CID 594617

IUPAC2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C12H15N3O/c1-3-6-13-12(16)9-4-5-10-11(7-9)15-8(2)14-10/h4-5,7H,3,6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyKROCVPBXSCZIOI-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.01
Rot. Bonds3

About 2-methyl-N-propyl-3H-benzimidazole-5-carboxamide

2-methyl-N-propyl-3H-benzimidazole-5-carboxamide (PubChem CID 594617) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-methyl-N-propyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
PubChem CID594617
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C12H15N3O/c1-3-6-13-12(16)9-4-5-10-11(7-9)15-8(2)14-10/h4-5,7H,3,6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyKROCVPBXSCZIOI-UHFFFAOYSA-N
XLogP2.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
1-(2-methyl-3H-benzimidazol-5-yl)butan-1-one
CID 39104462
N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 46963232
4-[7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-N-propylbenzamide
CID 59604312
3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide
CID 148763117
2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 74245117
2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503
2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide
CID 74242211
2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide
CID 110765504
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-propyl-3H-benzimidazole-5-carboxamide (CID 594617) is 2-methyl-N-propyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-propyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-propyl-3H-benzimidazole-5-carboxamide is CCCNC(=O)c1ccc2nc(C)[nH]c2c1.
What is the InChIKey of 2-methyl-N-propyl-3H-benzimidazole-5-carboxamide?
The InChIKey is KROCVPBXSCZIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-6-13-12(16)9-4-5-10-11(7-9)15-8(2)14-10/h4-5,7H,3,6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-methyl-N-propyl-3H-benzimidazole-5-carboxamide?
2-methyl-N-propyl-3H-benzimidazole-5-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 594617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).