1-methyl-6-phenylbenzimidazole

C14H12N2 — CID 135028518

IUPAC1-methyl-6-phenylbenzimidazole
SMILESCn1cnc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C14H12N2/c1-16-10-15-13-8-7-12(9-14(13)16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyOXMLPEIBYCXXLX-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.24
Rot. Bonds1

About 1-methyl-6-phenylbenzimidazole

1-methyl-6-phenylbenzimidazole (PubChem CID 135028518) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-methyl-6-phenylbenzimidazole.

Molecular Properties

Compound Name1-methyl-6-phenylbenzimidazole
PubChem CID135028518
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name1-methyl-6-phenylbenzimidazole
SMILESCn1cnc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C14H12N2/c1-16-10-15-13-8-7-12(9-14(13)16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyOXMLPEIBYCXXLX-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-phenylbenzimidazole?
The IUPAC name of 1-methyl-6-phenylbenzimidazole (CID 135028518) is 1-methyl-6-phenylbenzimidazole.
What is the SMILES notation for 1-methyl-6-phenylbenzimidazole?
The canonical SMILES for 1-methyl-6-phenylbenzimidazole is Cn1cnc2ccc(-c3ccccc3)cc21.
What is the InChIKey of 1-methyl-6-phenylbenzimidazole?
The InChIKey is OXMLPEIBYCXXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-16-10-15-13-8-7-12(9-14(13)16)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 1-methyl-6-phenylbenzimidazole?
1-methyl-6-phenylbenzimidazole has a molecular weight of 208.26 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-phenylbenzimidazole is sourced from PubChem (CID 135028518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).