cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone

C14H16N2O — CID 82494804

IUPACcyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone
SMILESCCn1c(C)nc2cc(C(=O)C3CC3)ccc21
InChIInChI=1S/C14H16N2O/c1-3-16-9(2)15-12-8-11(6-7-13(12)16)14(17)10-4-5-10/h6-8,10H,3-5H2,1-2H3
InChIKeyWVGZDCICOBHTAB-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.96
Rot. Bonds3

About cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone

cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone (PubChem CID 82494804) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone
PubChem CID82494804
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Namecyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone
SMILESCCn1c(C)nc2cc(C(=O)C3CC3)ccc21
InChIInChI=1S/C14H16N2O/c1-3-16-9(2)15-12-8-11(6-7-13(12)16)14(17)10-4-5-10/h6-8,10H,3-5H2,1-2H3
InChIKeyWVGZDCICOBHTAB-UHFFFAOYSA-N
XLogP2.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-oxoacetic acid
CID 82495640
2-bromo-1-(1-ethyl-2-methylbenzimidazol-5-yl)ethanone
CID 87941694
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165621
1-ethyl-2-methyl-N'-[(2R)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165622
N,N-diethyl-4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]piperidine-1-carboxamide
CID 46428685
N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
N-[(4S,5S)-1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-5-hydroxyazepan-4-yl]-2-methylpropanamide
CID 110162803
(2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone
CID 82501905
1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
CID 26536246
1-(2-cyclohexylethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63548848

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone?
The IUPAC name of cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone (CID 82494804) is cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone.
What is the SMILES notation for cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone?
The canonical SMILES for cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone is CCn1c(C)nc2cc(C(=O)C3CC3)ccc21.
What is the InChIKey of cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone?
The InChIKey is WVGZDCICOBHTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-16-9(2)15-12-8-11(6-7-13(12)16)14(17)10-4-5-10/h6-8,10H,3-5H2,1-2H3.
What are the key properties of cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone?
cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone has a molecular weight of 228.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 82494804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).