6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole

C11H11ClN2 — CID 64724517

IUPAC6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole
SMILESClc1ccc2nc(CC3CC3)[nH]c2c1
InChIInChI=1S/C11H11ClN2/c12-8-3-4-9-10(6-8)14-11(13-9)5-7-1-2-7/h3-4,6-7H,1-2,5H2,(H,13,14)
InChIKeySHXVUIJTSVAZAU-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.17
Rot. Bonds2

About 6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole

6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole (PubChem CID 64724517) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole
PubChem CID64724517
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole
SMILESClc1ccc2nc(CC3CC3)[nH]c2c1
InChIInChI=1S/C11H11ClN2/c12-8-3-4-9-10(6-8)14-11(13-9)5-7-1-2-7/h3-4,6-7H,1-2,5H2,(H,13,14)
InChIKeySHXVUIJTSVAZAU-UHFFFAOYSA-N
XLogP3.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole
CID 138664195
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450
6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole
CID 64723934
2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole
CID 82005203
2-(cyclobutylmethyl)-6-ethyl-1H-benzimidazole
CID 103164535
6-chloro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60648959
6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
CID 60648883
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole
CID 138664980
5,6-dichloro-2-(thian-4-ylmethyl)-1H-benzimidazole
CID 83138055

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole (CID 64724517) is 6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole is Clc1ccc2nc(CC3CC3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole?
The InChIKey is SHXVUIJTSVAZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c12-8-3-4-9-10(6-8)14-11(13-9)5-7-1-2-7/h3-4,6-7H,1-2,5H2,(H,13,14).
What are the key properties of 6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole?
6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole has a molecular weight of 206.68 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole is sourced from PubChem (CID 64724517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).