2,2-dimethyl-3-phenyl-1H-benzimidazole

C15H16N2 — CID 145358032

IUPAC2,2-dimethyl-3-phenyl-1H-benzimidazole
SMILESCC1(C)Nc2ccccc2N1c1ccccc1
InChIInChI=1S/C15H16N2/c1-15(2)16-13-10-6-7-11-14(13)17(15)12-8-4-3-5-9-12/h3-11,16H,1-2H3
InChIKeyCTYWFXKUMVYAOB-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.99
Rot. Bonds1

About 2,2-dimethyl-3-phenyl-1H-benzimidazole

2,2-dimethyl-3-phenyl-1H-benzimidazole (PubChem CID 145358032) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name2,2-dimethyl-3-phenyl-1H-benzimidazole
PubChem CID145358032
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name2,2-dimethyl-3-phenyl-1H-benzimidazole
SMILESCC1(C)Nc2ccccc2N1c1ccccc1
InChIInChI=1S/C15H16N2/c1-15(2)16-13-10-6-7-11-14(13)17(15)12-8-4-3-5-9-12/h3-11,16H,1-2H3
InChIKeyCTYWFXKUMVYAOB-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-phenyl-1H-quinazoline-4-thione
CID 15954336
2,3-dimethyl-2-phenyl-1H-benzimidazole
CID 70875592
4a-methyl-2,3,4,5-tetrahydropyrimido[1,6-a]benzimidazole-1-thione
CID 10331030
2-hydroxy-3a-methyl-4H-pyrrolo[1,2-a]benzimidazol-1-one
CID 20899687
methyl 3-(2-fluoro-2-methyl-3H-benzimidazol-1-yl)benzoate
CID 67129076
2,2,4-trimethyl-1,3-dihydroquinoxaline;hydrochloride
CID 134691155
2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid
CID 82157084
3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide
CID 140737605
4-methyl-4-(oxiran-2-yl)-1-phenyl-1,3-diazetidin-2-one
CID 15371576
2,3-diphenyl-1H-benzotriazole
CID 175768645
(3aS)-3a-propyl-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one
CID 41286244
5a,10a-dimethyl-5-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole
CID 142355577

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-phenyl-1H-benzimidazole?
The IUPAC name of 2,2-dimethyl-3-phenyl-1H-benzimidazole (CID 145358032) is 2,2-dimethyl-3-phenyl-1H-benzimidazole.
What is the SMILES notation for 2,2-dimethyl-3-phenyl-1H-benzimidazole?
The canonical SMILES for 2,2-dimethyl-3-phenyl-1H-benzimidazole is CC1(C)Nc2ccccc2N1c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-phenyl-1H-benzimidazole?
The InChIKey is CTYWFXKUMVYAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-15(2)16-13-10-6-7-11-14(13)17(15)12-8-4-3-5-9-12/h3-11,16H,1-2H3.
What are the key properties of 2,2-dimethyl-3-phenyl-1H-benzimidazole?
2,2-dimethyl-3-phenyl-1H-benzimidazole has a molecular weight of 224.31 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-phenyl-1H-benzimidazole is sourced from PubChem (CID 145358032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).