1-(3-methylphenyl)benzimidazole

C14H12N2 — CID 5328436

IUPAC1-(3-methylphenyl)benzimidazole
SMILESCc1cccc(-n2cnc3ccccc32)c1
InChIInChI=1S/C14H12N2/c1-11-5-4-6-12(9-11)16-10-15-13-7-2-3-8-14(13)16/h2-10H,1H3
InChIKeyRRLPVSYEGFKJMO-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.33
Rot. Bonds1

About 1-(3-methylphenyl)benzimidazole

1-(3-methylphenyl)benzimidazole (PubChem CID 5328436) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(3-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-(3-methylphenyl)benzimidazole
PubChem CID5328436
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name1-(3-methylphenyl)benzimidazole
SMILESCc1cccc(-n2cnc3ccccc32)c1
InChIInChI=1S/C14H12N2/c1-11-5-4-6-12(9-11)16-10-15-13-7-2-3-8-14(13)16/h2-10H,1H3
InChIKeyRRLPVSYEGFKJMO-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 1-(3-methylphenyl)benzimidazole?
The IUPAC name of 1-(3-methylphenyl)benzimidazole (CID 5328436) is 1-(3-methylphenyl)benzimidazole.
What is the SMILES notation for 1-(3-methylphenyl)benzimidazole?
The canonical SMILES for 1-(3-methylphenyl)benzimidazole is Cc1cccc(-n2cnc3ccccc32)c1.
What is the InChIKey of 1-(3-methylphenyl)benzimidazole?
The InChIKey is RRLPVSYEGFKJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-11-5-4-6-12(9-11)16-10-15-13-7-2-3-8-14(13)16/h2-10H,1H3.
What are the key properties of 1-(3-methylphenyl)benzimidazole?
1-(3-methylphenyl)benzimidazole 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 1-(3-methylphenyl)benzimidazole is sourced from PubChem (CID 5328436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).