1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole

C16H15ClN2 — CID 683409

IUPAC1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(Cc3ccc(Cl)cc3)c2cc1C
InChIInChI=1S/C16H15ClN2/c1-11-7-15-16(8-12(11)2)19(10-18-15)9-13-3-5-14(17)6-4-13/h3-8,10H,9H2,1-2H3
InChIKeyAGMQHEBJQCVRFK-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.35
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole

1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole (PubChem CID 683409) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole
PubChem CID683409
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(Cc3ccc(Cl)cc3)c2cc1C
InChIInChI=1S/C16H15ClN2/c1-11-7-15-16(8-12(11)2)19(10-18-15)9-13-3-5-14(17)6-4-13/h3-8,10H,9H2,1-2H3
InChIKeyAGMQHEBJQCVRFK-UHFFFAOYSA-N
XLogP4.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole (CID 683409) is 1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole is Cc1cc2ncn(Cc3ccc(Cl)cc3)c2cc1C.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole?
The InChIKey is AGMQHEBJQCVRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-11-7-15-16(8-12(11)2)19(10-18-15)9-13-3-5-14(17)6-4-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole?
1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole has a molecular weight of 270.76 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 683409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).