2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone

C14H16N2O — CID 79754172

IUPAC2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
SMILESCC1CC1C(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C14H16N2O/c1-9-7-10(9)13(17)8-14-15-11-5-3-4-6-12(11)16(14)2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVQMWPGNRXWWFRH-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.34
Rot. Bonds3

About 2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone

2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone (PubChem CID 79754172) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
PubChem CID79754172
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
SMILESCC1CC1C(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C14H16N2O/c1-9-7-10(9)13(17)8-14-15-11-5-3-4-6-12(11)16(14)2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVQMWPGNRXWWFRH-UHFFFAOYSA-N
XLogP2.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116575970
2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
CID 79755685
2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone
CID 116547792
1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 103167962
N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxamide
CID 86792753
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 24634766
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79754349
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone (CID 79754172) is 2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone is CC1CC1C(=O)Cc1nc2ccccc2n1C.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone?
The InChIKey is VQMWPGNRXWWFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-7-10(9)13(17)8-14-15-11-5-3-4-6-12(11)16(14)2/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone?
2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone has a molecular weight of 228.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone is sourced from PubChem (CID 79754172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).