2-(4-chlorophenyl)-4-methyl-1H-benzimidazole

C14H11ClN2 — CID 59018388

IUPAC2-(4-chlorophenyl)-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C14H11ClN2/c1-9-3-2-4-12-13(9)17-14(16-12)10-5-7-11(15)8-6-10/h2-8H,1H3,(H,16,17)
InChIKeyMGOIQZBDRJPFOA-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.19
Rot. Bonds1

About 2-(4-chlorophenyl)-4-methyl-1H-benzimidazole

2-(4-chlorophenyl)-4-methyl-1H-benzimidazole (PubChem CID 59018388) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-1H-benzimidazole
PubChem CID59018388
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-(4-chlorophenyl)-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C14H11ClN2/c1-9-3-2-4-12-13(9)17-14(16-12)10-5-7-11(15)8-6-10/h2-8H,1H3,(H,16,17)
InChIKeyMGOIQZBDRJPFOA-UHFFFAOYSA-N
XLogP4.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bendazol
CID 12132
Clemizole Hydrochloride
CID 5309446
Clemizole
CID 2782
2-Phenylbenzimidazole
CID 12855
Chlormidazole
CID 71821
5-Chloro-2-methylbenzimidazole
CID 76063
Chlorfenazole
CID 77123
2-(4-Fluoro-phenyl)-1H-benzoimidazole
CID 101259
2-(1H-1,3-Benzodiazol-2-YL)-4-chloroaniline
CID 318088
4-(1H-1,3-benzodiazol-2-yl)aniline
CID 345677
1-(4-Chlorobenzyl)-1H-benzimidazole
CID 853038
Hemi-Babim
CID 1282

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-1H-benzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-1H-benzimidazole (CID 59018388) is 2-(4-chlorophenyl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-1H-benzimidazole is Cc1cccc2[nH]c(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-1H-benzimidazole?
The InChIKey is MGOIQZBDRJPFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-9-3-2-4-12-13(9)17-14(16-12)10-5-7-11(15)8-6-10/h2-8H,1H3,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)-4-methyl-1H-benzimidazole?
2-(4-chlorophenyl)-4-methyl-1H-benzimidazole has a molecular weight of 242.71 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 59018388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).