1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole

C15H13ClN2 — CID 709571

IUPAC1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C15H13ClN2/c1-11-17-14-8-4-5-9-15(14)18(11)10-12-6-2-3-7-13(12)16/h2-9H,10H2,1H3
InChIKeyBDUGETYYWCEFNH-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.05
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole

1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole (PubChem CID 709571) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
PubChem CID709571
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C15H13ClN2/c1-11-17-14-8-4-5-9-15(14)18(11)10-12-6-2-3-7-13(12)16/h2-9H,10H2,1H3
InChIKeyBDUGETYYWCEFNH-UHFFFAOYSA-N
XLogP4.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole
CID 62470224
2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylbenzimidazole
CID 112654456
2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 29075827
N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide
CID 54283070
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448
1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82024681
1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243205
1-[(2-chlorophenyl)methyl]-2-methyl-6-propylsulfanylbenzimidazole
CID 134083749
ethyl 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18680819

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole (CID 709571) is 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole?
The InChIKey is BDUGETYYWCEFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-11-17-14-8-4-5-9-15(14)18(11)10-12-6-2-3-7-13(12)16/h2-9H,10H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole?
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole has a molecular weight of 256.74 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole is sourced from PubChem (CID 709571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).