1,2,3-trimethyl-2-phenylbenzimidazole

C16H18N2 — CID 799470

IUPAC1,2,3-trimethyl-2-phenylbenzimidazole
SMILESCN1c2ccccc2N(C)C1(C)c1ccccc1
InChIInChI=1S/C16H18N2/c1-16(13-9-5-4-6-10-13)17(2)14-11-7-8-12-15(14)18(16)3/h4-12H,1-3H3
InChIKeyKRRQMNKTLOKWBN-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.45
Rot. Bonds1

About 1,2,3-trimethyl-2-phenylbenzimidazole

1,2,3-trimethyl-2-phenylbenzimidazole (PubChem CID 799470) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,2,3-trimethyl-2-phenylbenzimidazole.

Molecular Properties

Compound Name1,2,3-trimethyl-2-phenylbenzimidazole
PubChem CID799470
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name1,2,3-trimethyl-2-phenylbenzimidazole
SMILESCN1c2ccccc2N(C)C1(C)c1ccccc1
InChIInChI=1S/C16H18N2/c1-16(13-9-5-4-6-10-13)17(2)14-11-7-8-12-15(14)18(16)3/h4-12H,1-3H3
InChIKeyKRRQMNKTLOKWBN-UHFFFAOYSA-N
XLogP3.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,3-trimethyl-2-phenylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-2-phenylbenzimidazole?
The IUPAC name of 1,2,3-trimethyl-2-phenylbenzimidazole (CID 799470) is 1,2,3-trimethyl-2-phenylbenzimidazole.
What is the SMILES notation for 1,2,3-trimethyl-2-phenylbenzimidazole?
The canonical SMILES for 1,2,3-trimethyl-2-phenylbenzimidazole is CN1c2ccccc2N(C)C1(C)c1ccccc1.
What is the InChIKey of 1,2,3-trimethyl-2-phenylbenzimidazole?
The InChIKey is KRRQMNKTLOKWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-16(13-9-5-4-6-10-13)17(2)14-11-7-8-12-15(14)18(16)3/h4-12H,1-3H3.
What are the key properties of 1,2,3-trimethyl-2-phenylbenzimidazole?
1,2,3-trimethyl-2-phenylbenzimidazole has a molecular weight of 238.33 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-2-phenylbenzimidazole is sourced from PubChem (CID 799470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).