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

C15H13ClN2 — CID 140992503

IUPAC4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole
SMILESCc1nc2c(Cc3ccccc3Cl)cccc2[nH]1
InChIInChI=1S/C15H13ClN2/c1-10-17-14-8-4-6-12(15(14)18-10)9-11-5-2-3-7-13(11)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyMYLABRWXIDEMRC-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.12
Rot. Bonds2

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

4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole (PubChem CID 140992503) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole
PubChem CID140992503
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole
SMILESCc1nc2c(Cc3ccccc3Cl)cccc2[nH]1
InChIInChI=1S/C15H13ClN2/c1-10-17-14-8-4-6-12(15(14)18-10)9-11-5-2-3-7-13(11)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyMYLABRWXIDEMRC-UHFFFAOYSA-N
XLogP4.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid
CID 142636695
2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde
CID 83874207
4-chloro-2-methyl-1H-benzimidazole;ethane;1-methylazepane
CID 156742444
2-methyl-4-pent-4-ynyl-1H-benzimidazole
CID 56689364
2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine
CID 83881603
5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135475132
(2-methyl-1H-benzimidazol-4-yl)methyl acetate
CID 58897321
4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole
CID 60979217
1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene
CID 130411639
2-[(2-chlorophenyl)methyl]-1H-indole
CID 70108058
4-(2-fluorophenyl)-2-methyl-1H-benzimidazole
CID 70913994
4-chloro-2-ethoxy-1H-benzimidazole
CID 69014735

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole (CID 140992503) is 4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole is Cc1nc2c(Cc3ccccc3Cl)cccc2[nH]1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole?
The InChIKey is MYLABRWXIDEMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-10-17-14-8-4-6-12(15(14)18-10)9-11-5-2-3-7-13(11)16/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole?
4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole has a molecular weight of 256.74 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole is sourced from PubChem (CID 140992503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).