2-chloro-1-cyclohex-2-en-1-ylbenzimidazole

C13H13ClN2 — CID 122210350

IUPAC2-chloro-1-cyclohex-2-en-1-ylbenzimidazole
SMILESClc1nc2ccccc2n1C1C=CCCC1
InChIInChI=1S/C13H13ClN2/c14-13-15-11-8-4-5-9-12(11)16(13)10-6-2-1-3-7-10/h2,4-6,8-10H,1,3,7H2
InChIKeyODOPKOFVOARGBR-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.97
Rot. Bonds1

About 2-chloro-1-cyclohex-2-en-1-ylbenzimidazole

2-chloro-1-cyclohex-2-en-1-ylbenzimidazole (PubChem CID 122210350) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-chloro-1-cyclohex-2-en-1-ylbenzimidazole.

Molecular Properties

Compound Name2-chloro-1-cyclohex-2-en-1-ylbenzimidazole
PubChem CID122210350
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name2-chloro-1-cyclohex-2-en-1-ylbenzimidazole
SMILESClc1nc2ccccc2n1C1C=CCCC1
InChIInChI=1S/C13H13ClN2/c14-13-15-11-8-4-5-9-12(11)16(13)10-6-2-1-3-7-10/h2,4-6,8-10H,1,3,7H2
InChIKeyODOPKOFVOARGBR-UHFFFAOYSA-N
XLogP3.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-acetyl-1-[(1R,5S)-8-cyclohex-2-en-1-yl-8-azabicyclo[3.2.1]octan-3-yl]quinoxalin-2-one
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2-cyclohex-2-en-1-yl-1,3-dimethylideneisoindole
CID 58456620
1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole
CID 18324773
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
2-chloro-1-cyclobutylbenzimidazol-5-ol
CID 84788817
ethyl 4-[(1R,5S)-8-[(2Z)-cyclooct-2-en-1-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylate
CID 59450922
2-(1-chloroethyl)-1-(2,3-dimethylcyclohexyl)benzimidazole
CID 43666537
1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole
CID 126847861
2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile
CID 63638253
2-chloro-1-cyclopropylbenzimidazol-5-ol
CID 83834342
4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 12515598
(1S)-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 97302978

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-cyclohex-2-en-1-ylbenzimidazole?
The IUPAC name of 2-chloro-1-cyclohex-2-en-1-ylbenzimidazole (CID 122210350) is 2-chloro-1-cyclohex-2-en-1-ylbenzimidazole.
What is the SMILES notation for 2-chloro-1-cyclohex-2-en-1-ylbenzimidazole?
The canonical SMILES for 2-chloro-1-cyclohex-2-en-1-ylbenzimidazole is Clc1nc2ccccc2n1C1C=CCCC1.
What is the InChIKey of 2-chloro-1-cyclohex-2-en-1-ylbenzimidazole?
The InChIKey is ODOPKOFVOARGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-13-15-11-8-4-5-9-12(11)16(13)10-6-2-1-3-7-10/h2,4-6,8-10H,1,3,7H2.
What are the key properties of 2-chloro-1-cyclohex-2-en-1-ylbenzimidazole?
2-chloro-1-cyclohex-2-en-1-ylbenzimidazole has a molecular weight of 232.71 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclohex-2-en-1-ylbenzimidazole is sourced from PubChem (CID 122210350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).