6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole

C12H15ClN2 — CID 21329570

IUPAC6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole
SMILESCc1nc2cc(C(C)C)c(Cl)cc2n1C
InChIInChI=1S/C12H15ClN2/c1-7(2)9-5-11-12(6-10(9)13)15(4)8(3)14-11/h5-7H,1-4H3
InChIKeyYWLCHGLGBWSJSK-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.66
Rot. Bonds1

About 6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole

6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole (PubChem CID 21329570) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole
PubChem CID21329570
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole
SMILESCc1nc2cc(C(C)C)c(Cl)cc2n1C
InChIInChI=1S/C12H15ClN2/c1-7(2)9-5-11-12(6-10(9)13)15(4)8(3)14-11/h5-7H,1-4H3
InChIKeyYWLCHGLGBWSJSK-UHFFFAOYSA-N
XLogP3.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chlormidazole
CID 71821
5,6-Dichloro-1,2-dimethylbenzimidazole
CID 840715
5-chloro-1-methyl-1H-1,3-benzodiazol-2-amine
CID 113622
1-(4-chlorobenzyl)-5,6-dimethyl-1H-benzimidazole
CID 683409
6-chloro-1-methyl-1H-1,3-benzodiazol-2-amine
CID 10419809
1H-Benzimidazole, 5-chloro-1-ethyl-2-methyl-
CID 76064
1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-
CID 76717
4-(2-Chlorophenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 2998780
5-Chloro-1,2-dimethyl-1H-benzimidazole
CID 13032420
Chlormidazole hydrochloride
CID 11346885
1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine
CID 134814243
1H-Benzimidazole, 2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]-
CID 3596016

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole?
The IUPAC name of 6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole (CID 21329570) is 6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole.
What is the SMILES notation for 6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole?
The canonical SMILES for 6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole is Cc1nc2cc(C(C)C)c(Cl)cc2n1C.
What is the InChIKey of 6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole?
The InChIKey is YWLCHGLGBWSJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-7(2)9-5-11-12(6-10(9)13)15(4)8(3)14-11/h5-7H,1-4H3.
What are the key properties of 6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole?
6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole has a molecular weight of 222.72 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole is sourced from PubChem (CID 21329570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).