N-cyclopropyl-1-methylbenzimidazole-5-carboxamide

C12H13N3O — CID 95967858

IUPACN-cyclopropyl-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)NC3CC3)ccc21
InChIInChI=1S/C12H13N3O/c1-15-7-13-10-6-8(2-5-11(10)15)12(16)14-9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,14,16)
InChIKeyWXSSOVGHESCARY-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.47
Rot. Bonds2

About N-cyclopropyl-1-methylbenzimidazole-5-carboxamide

N-cyclopropyl-1-methylbenzimidazole-5-carboxamide (PubChem CID 95967858) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-cyclopropyl-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methylbenzimidazole-5-carboxamide
PubChem CID95967858
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-cyclopropyl-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)NC3CC3)ccc21
InChIInChI=1S/C12H13N3O/c1-15-7-13-10-6-8(2-5-11(10)15)12(16)14-9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,14,16)
InChIKeyWXSSOVGHESCARY-UHFFFAOYSA-N
XLogP1.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101
1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide
CID 128877935
1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide
CID 99696199
N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide
CID 139541555
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53180053
(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82341526
N,2-dicyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 110765996
N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide
CID 110692569
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylbenzimidazole-5-carboxamide
CID 91761822

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-1-methylbenzimidazole-5-carboxamide (CID 95967858) is N-cyclopropyl-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methylbenzimidazole-5-carboxamide is Cn1cnc2cc(C(=O)NC3CC3)ccc21.
What is the InChIKey of N-cyclopropyl-1-methylbenzimidazole-5-carboxamide?
The InChIKey is WXSSOVGHESCARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15-7-13-10-6-8(2-5-11(10)15)12(16)14-9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,14,16).
What are the key properties of N-cyclopropyl-1-methylbenzimidazole-5-carboxamide?
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 95967858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).