2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole

C12H13ClN2 — CID 83838088

IUPAC2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole
SMILESCc1cc2nc(Cl)n(C3CC3)c2cc1C
InChIInChI=1S/C12H13ClN2/c1-7-5-10-11(6-8(7)2)15(9-3-4-9)12(13)14-10/h5-6,9H,3-4H2,1-2H3
InChIKeyMXLMKVFLDUPDQT-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.64
Rot. Bonds1

About 2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole

2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole (PubChem CID 83838088) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole
PubChem CID83838088
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole
SMILESCc1cc2nc(Cl)n(C3CC3)c2cc1C
InChIInChI=1S/C12H13ClN2/c1-7-5-10-11(6-8(7)2)15(9-3-4-9)12(13)14-10/h5-6,9H,3-4H2,1-2H3
InChIKeyMXLMKVFLDUPDQT-UHFFFAOYSA-N
XLogP3.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-chloro-1-cyclopropylbenzimidazole
CID 83680821
2-chloro-1-cyclopropylbenzimidazol-5-ol
CID 83834342
2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842367
2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842368
2-chloro-1-cyclobutylbenzimidazol-5-ol
CID 84788817
2-(1-chloroethyl)-5,6-dimethyl-1-(thiolan-3-yl)benzimidazole
CID 114281467
2-(chloromethyl)-1-cyclobutyl-5-fluoro-6-methylbenzimidazole
CID 103593655
2-(1-chloroethyl)-5-fluoro-6-methyl-1-(oxan-4-yl)benzimidazole
CID 103593446
6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 115470825
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915509
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783299
5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline
CID 115473239

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole?
The IUPAC name of 2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole (CID 83838088) is 2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole.
What is the SMILES notation for 2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole?
The canonical SMILES for 2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole is Cc1cc2nc(Cl)n(C3CC3)c2cc1C.
What is the InChIKey of 2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole?
The InChIKey is MXLMKVFLDUPDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-7-5-10-11(6-8(7)2)15(9-3-4-9)12(13)14-10/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole?
2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole has a molecular weight of 220.70 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclopropyl-5,6-dimethylbenzimidazole is sourced from PubChem (CID 83838088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).