2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole

C19H22N2 — CID 709607

IUPAC2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole
SMILESCC(C)Cc1ccc([C@@H](C)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H22N2/c1-13(2)12-15-8-10-16(11-9-15)14(3)19-20-17-6-4-5-7-18(17)21-19/h4-11,13-14H,12H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeySOGGLHQFUVHVFT-CQSZACIVSA-N
MW278.40 g/mol
LogP4.91
Rot. Bonds4

About 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole

2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole (PubChem CID 709607) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole
PubChem CID709607
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole
SMILESCC(C)Cc1ccc([C@@H](C)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H22N2/c1-13(2)12-15-8-10-16(11-9-15)14(3)19-20-17-6-4-5-7-18(17)21-19/h4-11,13-14H,12H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeySOGGLHQFUVHVFT-CQSZACIVSA-N
XLogP4.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole
CID 828176
2-propan-2-yl-1H-benzimidazole
CID 22121
2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole
CID 139651881
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
2-[1-(3-bromo-4-methoxyphenyl)ethyl]-1H-benzimidazole
CID 89433823
2-[1-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)propan-2-yl]-1H-benzimidazole
CID 3095741
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
2-(2-methyl-1-phenylpropyl)-1H-benzimidazole
CID 146180752
4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione
CID 107409781
1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 5130379
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
1-(1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 60664241

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole?
The IUPAC name of 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole (CID 709607) is 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole?
The canonical SMILES for 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole is CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole?
The InChIKey is SOGGLHQFUVHVFT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2/c1-13(2)12-15-8-10-16(11-9-15)14(3)19-20-17-6-4-5-7-18(17)21-19/h4-11,13-14H,12H2,1-3H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole?
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole has a molecular weight of 278.40 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole is sourced from PubChem (CID 709607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).