N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide

C12H15N3O2 — CID 110469008

IUPACN-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide
SMILESCC(O)CNC(=O)c1nc2ccccc2n1C
InChIInChI=1S/C12H15N3O2/c1-8(16)7-13-12(17)11-14-9-5-3-4-6-10(9)15(11)2/h3-6,8,16H,7H2,1-2H3,(H,13,17)
InChIKeyQYTSRTZSJJQNDZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.68
Rot. Bonds3

About N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide

N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide (PubChem CID 110469008) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide
PubChem CID110469008
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide
SMILESCC(O)CNC(=O)c1nc2ccccc2n1C
InChIInChI=1S/C12H15N3O2/c1-8(16)7-13-12(17)11-14-9-5-3-4-6-10(9)15(11)2/h3-6,8,16H,7H2,1-2H3,(H,13,17)
InChIKeyQYTSRTZSJJQNDZ-UHFFFAOYSA-N
XLogP0.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide
CID 110469019
N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide
CID 110469047
1-(1-methylbenzimidazol-2-yl)pentane-1,3-dione
CID 43114701
sodium 1-methylbenzimidazole-2-carboxylate
CID 131637939
3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide
CID 110900786
N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794841
N,1-dimethyl-N-phenylbenzimidazole-2-carboxamide
CID 110469037
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide
CID 46864706
2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83836910

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide (CID 110469008) is N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide is CC(O)CNC(=O)c1nc2ccccc2n1C.
What is the InChIKey of N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide?
The InChIKey is QYTSRTZSJJQNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(16)7-13-12(17)11-14-9-5-3-4-6-10(9)15(11)2/h3-6,8,16H,7H2,1-2H3,(H,13,17).
What are the key properties of N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide?
N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide is sourced from PubChem (CID 110469008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).