ethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate

C13H13ClN2O2 — CID 135377555

IUPACethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C13H13ClN2O2/c1-2-18-13(17)9-6-8(9)12-15-10-4-3-7(14)5-11(10)16-12/h3-5,8-9H,2,6H2,1H3,(H,15,16)
InChIKeyJUVKKKBULXINQP-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.88
Rot. Bonds3

About ethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate

ethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate (PubChem CID 135377555) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is ethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate
PubChem CID135377555
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Nameethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C13H13ClN2O2/c1-2-18-13(17)9-6-8(9)12-15-10-4-3-7(14)5-11(10)16-12/h3-5,8-9H,2,6H2,1H3,(H,15,16)
InChIKeyJUVKKKBULXINQP-UHFFFAOYSA-N
XLogP2.88
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole
CID 60648934
ethyl (1S)-2-(6-chloroisoquinolin-1-yl)cyclopropane-1-carboxylate
CID 171099252
ethyl 2-[6-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-benzimidazol-2-yl]cyclopropane-1-carboxylate
CID 89358298
trans-(1R,2R)-2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide
CID 135377386
2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
CID 130245846
2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 130245553
4-(6-chloro-1H-benzimidazol-2-yl)oxolan-3-amine
CID 66238869
2-(5,6-dichloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 82001126
4-ethyl-2-(6-hydroxy-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 114512471
trans-(1R,2R)-2-(6-chloro-1H-benzimidazol-2-yl)-N-[4-(diethylamino)-4-oxobutyl]cyclohexane-1-carboxamide
CID 97260350
2-(6-chloro-1H-benzimidazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylcyclohexane-1-carboxamide
CID 75451097
trans-(1R,2R)-2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 97260370

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate (CID 135377555) is ethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of ethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate?
The InChIKey is JUVKKKBULXINQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-2-18-13(17)9-6-8(9)12-15-10-4-3-7(14)5-11(10)16-12/h3-5,8-9H,2,6H2,1H3,(H,15,16).
What are the key properties of ethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate?
ethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate has a molecular weight of 264.71 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloro-1H-benzimidazol-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 135377555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).