2-(4-chlorophenyl)-1-methylbenzimidazole

C14H11ClN2 — CID 974595

IUPAC2-(4-chlorophenyl)-1-methylbenzimidazole
SMILESCn1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C14H11ClN2/c1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3
InChIKeyHYYYYTWUVIVVSG-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.89
Rot. Bonds1

About 2-(4-chlorophenyl)-1-methylbenzimidazole

2-(4-chlorophenyl)-1-methylbenzimidazole (PubChem CID 974595) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-methylbenzimidazole
PubChem CID974595
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-(4-chlorophenyl)-1-methylbenzimidazole
SMILESCn1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C14H11ClN2/c1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3
InChIKeyHYYYYTWUVIVVSG-UHFFFAOYSA-N
XLogP3.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-methylbenzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-methylbenzimidazole (CID 974595) is 2-(4-chlorophenyl)-1-methylbenzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-methylbenzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-methylbenzimidazole is Cn1c(-c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-1-methylbenzimidazole?
The InChIKey is HYYYYTWUVIVVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-methylbenzimidazole?
2-(4-chlorophenyl)-1-methylbenzimidazole has a molecular weight of 242.71 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-methylbenzimidazole is sourced from PubChem (CID 974595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).