2-(2-methyl-1-phenylpropyl)-1H-benzimidazole

C17H18N2 — CID 146180752

IUPAC2-(2-methyl-1-phenylpropyl)-1H-benzimidazole
SMILESCC(C)C(c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H18N2/c1-12(2)16(13-8-4-3-5-9-13)17-18-14-10-6-7-11-15(14)19-17/h3-12,16H,1-2H3,(H,18,19)
InChIKeyFUMWBHUSKSHFJW-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.35
Rot. Bonds3

About 2-(2-methyl-1-phenylpropyl)-1H-benzimidazole

2-(2-methyl-1-phenylpropyl)-1H-benzimidazole (PubChem CID 146180752) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(2-methyl-1-phenylpropyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-methyl-1-phenylpropyl)-1H-benzimidazole
PubChem CID146180752
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name2-(2-methyl-1-phenylpropyl)-1H-benzimidazole
SMILESCC(C)C(c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H18N2/c1-12(2)16(13-8-4-3-5-9-13)17-18-14-10-6-7-11-15(14)19-17/h3-12,16H,1-2H3,(H,18,19)
InChIKeyFUMWBHUSKSHFJW-UHFFFAOYSA-N
XLogP4.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-3-(1H-benzimidazol-2-yl)-1,1,1-trichloro-3-phenylpropan-2-ol
CID 1278594
2-propan-2-yl-1H-benzimidazole
CID 22121
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
5-(1H-benzimidazol-2-yl)-5-phenylpentane-1,4-diamine
CID 91332325
2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole
CID 11426309
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
(2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide
CID 69341417
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
[(1S)-1-(1H-benzimidazol-2-yl)ethoxy]-tert-butyl-dimethylsilane
CID 71378419
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
CID 41083085

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-phenylpropyl)-1H-benzimidazole?
The IUPAC name of 2-(2-methyl-1-phenylpropyl)-1H-benzimidazole (CID 146180752) is 2-(2-methyl-1-phenylpropyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-methyl-1-phenylpropyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-methyl-1-phenylpropyl)-1H-benzimidazole is CC(C)C(c1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(2-methyl-1-phenylpropyl)-1H-benzimidazole?
The InChIKey is FUMWBHUSKSHFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-12(2)16(13-8-4-3-5-9-13)17-18-14-10-6-7-11-15(14)19-17/h3-12,16H,1-2H3,(H,18,19).
What are the key properties of 2-(2-methyl-1-phenylpropyl)-1H-benzimidazole?
2-(2-methyl-1-phenylpropyl)-1H-benzimidazole has a molecular weight of 250.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-phenylpropyl)-1H-benzimidazole is sourced from PubChem (CID 146180752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).