1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone

C12H11ClN2O — CID 83896303

IUPAC1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone
SMILESCC(=O)c1cc2nc(C3CC3)[nH]c2cc1Cl
InChIInChI=1S/C12H11ClN2O/c1-6(16)8-4-10-11(5-9(8)13)15-12(14-10)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,14,15)
InChIKeyRHWKTWWWVNPPKB-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.30
Rot. Bonds2

About 1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone

1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone (PubChem CID 83896303) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone
PubChem CID83896303
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone
SMILESCC(=O)c1cc2nc(C3CC3)[nH]c2cc1Cl
InChIInChI=1S/C12H11ClN2O/c1-6(16)8-4-10-11(5-9(8)13)15-12(14-10)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,14,15)
InChIKeyRHWKTWWWVNPPKB-UHFFFAOYSA-N
XLogP3.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone with MolForge

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Related Compounds

5,6-dichloro-2-cycloheptyl-1H-benzimidazole
CID 82004587
4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide
CID 110603188
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole
CID 82003889
4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 110611061
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551600
2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 82001126
3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551613
4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide
CID 110611063
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872
3-(5,6-dichloro-1H-benzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 82000968
2-(7-bicyclo[4.1.0]heptanyl)-5,6-dichloro-1H-benzimidazole
CID 82004398

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone?
The IUPAC name of 1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone (CID 83896303) is 1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone is CC(=O)c1cc2nc(C3CC3)[nH]c2cc1Cl.
What is the InChIKey of 1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone?
The InChIKey is RHWKTWWWVNPPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-6(16)8-4-10-11(5-9(8)13)15-12(14-10)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,14,15).
What are the key properties of 1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone?
1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone has a molecular weight of 234.69 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone is sourced from PubChem (CID 83896303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).