2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole

C16H15ClN2 — CID 82946949

IUPAC2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3ccc(CCl)cc3)[nH]c2c1
InChIInChI=1S/C16H15ClN2/c1-10-7-11(2)15-14(8-10)18-16(19-15)13-5-3-12(9-17)4-6-13/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyJXRYSEOOQPKHBA-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.59
Rot. Bonds2

About 2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole

2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole (PubChem CID 82946949) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole
PubChem CID82946949
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3ccc(CCl)cc3)[nH]c2c1
InChIInChI=1S/C16H15ClN2/c1-10-7-11(2)15-14(8-10)18-16(19-15)13-5-3-12(9-17)4-6-13/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyJXRYSEOOQPKHBA-UHFFFAOYSA-N
XLogP4.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773179
2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773183
4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
CID 56773162
2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole
CID 82007491
4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole
CID 82946962
6-bromo-2-[3-(chloromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 113428428
2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82942404
4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole
CID 91686424
4-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82946945
4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 82947476
4-(4-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
CID 84636861
5-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 82947728

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole (CID 82946949) is 2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole is Cc1cc(C)c2nc(-c3ccc(CCl)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole?
The InChIKey is JXRYSEOOQPKHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-10-7-11(2)15-14(8-10)18-16(19-15)13-5-3-12(9-17)4-6-13/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole?
2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole has a molecular weight of 270.76 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 82946949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).