5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole

C12H15ClN2 — CID 165144427

IUPAC5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole
SMILESCc1cc2[nH]c(CC(C)C)nc2cc1Cl
InChIInChI=1S/C12H15ClN2/c1-7(2)4-12-14-10-5-8(3)9(13)6-11(10)15-12/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyCYGRHVZJUDODJA-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.72
Rot. Bonds2

About 5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole

5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole (PubChem CID 165144427) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole
PubChem CID165144427
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole
SMILESCc1cc2[nH]c(CC(C)C)nc2cc1Cl
InChIInChI=1S/C12H15ClN2/c1-7(2)4-12-14-10-5-8(3)9(13)6-11(10)15-12/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyCYGRHVZJUDODJA-UHFFFAOYSA-N
XLogP3.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine
CID 82184501
(1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 94673305
1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 82184476
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine
CID 81073665
2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole
CID 58897196
4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol
CID 79200644
5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole
CID 82004888
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 82336665
5-chloro-2-[(6-chloro-1,3-benzodioxol-5-yl)oxymethyl]-6-methyl-1H-benzimidazole
CID 44589930
5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158463
(5,6-dichloro-1H-benzimidazol-2-yl)methanethiol
CID 102056508
N-methyl-1-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]methanamine
CID 84683142

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole?
The IUPAC name of 5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole (CID 165144427) is 5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole.
What is the SMILES notation for 5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole?
The canonical SMILES for 5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole is Cc1cc2[nH]c(CC(C)C)nc2cc1Cl.
What is the InChIKey of 5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole?
The InChIKey is CYGRHVZJUDODJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-7(2)4-12-14-10-5-8(3)9(13)6-11(10)15-12/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of 5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole?
5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole has a molecular weight of 222.72 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole is sourced from PubChem (CID 165144427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).