6-methyl-1-phenylbenzimidazole

C14H12N2 — CID 5328474

IUPAC6-methyl-1-phenylbenzimidazole
SMILESCc1ccc2ncn(-c3ccccc3)c2c1
InChIInChI=1S/C14H12N2/c1-11-7-8-13-14(9-11)16(10-15-13)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyIACHDDMWWGWMGX-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.33
Rot. Bonds1

About 6-methyl-1-phenylbenzimidazole

6-methyl-1-phenylbenzimidazole (PubChem CID 5328474) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-methyl-1-phenylbenzimidazole.

Molecular Properties

Compound Name6-methyl-1-phenylbenzimidazole
PubChem CID5328474
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name6-methyl-1-phenylbenzimidazole
SMILESCc1ccc2ncn(-c3ccccc3)c2c1
InChIInChI=1S/C14H12N2/c1-11-7-8-13-14(9-11)16(10-15-13)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyIACHDDMWWGWMGX-UHFFFAOYSA-N
XLogP3.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-phenylbenzimidazole?
The IUPAC name of 6-methyl-1-phenylbenzimidazole (CID 5328474) is 6-methyl-1-phenylbenzimidazole.
What is the SMILES notation for 6-methyl-1-phenylbenzimidazole?
The canonical SMILES for 6-methyl-1-phenylbenzimidazole is Cc1ccc2ncn(-c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-1-phenylbenzimidazole?
The InChIKey is IACHDDMWWGWMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-11-7-8-13-14(9-11)16(10-15-13)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 6-methyl-1-phenylbenzimidazole?
6-methyl-1-phenylbenzimidazole has a molecular weight of 208.26 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-phenylbenzimidazole is sourced from PubChem (CID 5328474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).