6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole

C12H13ClN2 — CID 134083712

IUPAC6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole
SMILESCc1nc2ccc(Cl)cc2n1CC1CC1
InChIInChI=1S/C12H13ClN2/c1-8-14-11-5-4-10(13)6-12(11)15(8)7-9-2-3-9/h4-6,9H,2-3,7H2,1H3
InChIKeyJEGDJKWLCQVWNW-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.41
Rot. Bonds2

About 6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole

6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole (PubChem CID 134083712) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole
PubChem CID134083712
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole
SMILESCc1nc2ccc(Cl)cc2n1CC1CC1
InChIInChI=1S/C12H13ClN2/c1-8-14-11-5-4-10(13)6-12(11)15(8)7-9-2-3-9/h4-6,9H,2-3,7H2,1H3
InChIKeyJEGDJKWLCQVWNW-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
CID 115470751
1-(cyclopropylmethyl)-2-methyl-6-propylsulfanylbenzimidazole
CID 134083751
6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 115471062
6-chloro-2-methyl-1-prop-2-enylbenzimidazole
CID 134086168
6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole
CID 115471068
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278
6-chloro-1-dodecyl-2-methylbenzimidazole
CID 139664986
6-chloro-2-(chloromethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole
CID 115471136
5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 46310061
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
1-tert-butyl-6-chloro-2-methylbenzimidazole
CID 20728140
6-chloro-2-(chloromethyl)-1-(oxolan-3-ylmethyl)benzimidazole
CID 113316358

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole?
The IUPAC name of 6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole (CID 134083712) is 6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole.
What is the SMILES notation for 6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole?
The canonical SMILES for 6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole is Cc1nc2ccc(Cl)cc2n1CC1CC1.
What is the InChIKey of 6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole?
The InChIKey is JEGDJKWLCQVWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-8-14-11-5-4-10(13)6-12(11)15(8)7-9-2-3-9/h4-6,9H,2-3,7H2,1H3.
What are the key properties of 6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole?
6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole has a molecular weight of 220.70 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole is sourced from PubChem (CID 134083712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).