3-methyl-6-phenyl-1,2-dihydrobenzimidazole

C14H14N2 — CID 146504738

IUPAC3-methyl-6-phenyl-1,2-dihydrobenzimidazole
SMILESCN1CNc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C14H14N2/c1-16-10-15-13-9-12(7-8-14(13)16)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3
InChIKeyWIHHHSQVFDTNFP-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.17
Rot. Bonds1

About 3-methyl-6-phenyl-1,2-dihydrobenzimidazole

3-methyl-6-phenyl-1,2-dihydrobenzimidazole (PubChem CID 146504738) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methyl-6-phenyl-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-methyl-6-phenyl-1,2-dihydrobenzimidazole
PubChem CID146504738
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name3-methyl-6-phenyl-1,2-dihydrobenzimidazole
SMILESCN1CNc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C14H14N2/c1-16-10-15-13-9-12(7-8-14(13)16)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3
InChIKeyWIHHHSQVFDTNFP-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-1,2-dihydrobenzimidazole?
The IUPAC name of 3-methyl-6-phenyl-1,2-dihydrobenzimidazole (CID 146504738) is 3-methyl-6-phenyl-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-methyl-6-phenyl-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-methyl-6-phenyl-1,2-dihydrobenzimidazole is CN1CNc2cc(-c3ccccc3)ccc21.
What is the InChIKey of 3-methyl-6-phenyl-1,2-dihydrobenzimidazole?
The InChIKey is WIHHHSQVFDTNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-16-10-15-13-9-12(7-8-14(13)16)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3.
What are the key properties of 3-methyl-6-phenyl-1,2-dihydrobenzimidazole?
3-methyl-6-phenyl-1,2-dihydrobenzimidazole has a molecular weight of 210.28 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-1,2-dihydrobenzimidazole is sourced from PubChem (CID 146504738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).