2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole

C19H22N2 — CID 828176

IUPAC2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole
SMILESCC(C)c1ccc(C[C@H](C)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H22N2/c1-13(2)16-10-8-15(9-11-16)12-14(3)19-20-17-6-4-5-7-18(17)21-19/h4-11,13-14H,12H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyNIKWHQDWIZVSHF-AWEZNQCLSA-N
MW278.40 g/mol
LogP5.03
Rot. Bonds4

About 2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole

2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole (PubChem CID 828176) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole
PubChem CID828176
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole
SMILESCC(C)c1ccc(C[C@H](C)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H22N2/c1-13(2)16-10-8-15(9-11-16)12-14(3)19-20-17-6-4-5-7-18(17)21-19/h4-11,13-14H,12H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyNIKWHQDWIZVSHF-AWEZNQCLSA-N
XLogP5.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole
CID 709607
2-propan-2-yl-1H-benzimidazole
CID 22121
2-[(2S)-2-(1H-benzimidazol-2-yl)propyl]aniline
CID 29247572
2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole
CID 139651881
2-(1-ethoxypropan-2-yl)-1H-benzimidazole
CID 20681263
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine
CID 83976079
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
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
2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one
CID 137315643

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole (CID 828176) is 2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole is CC(C)c1ccc(C[C@H](C)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole?
The InChIKey is NIKWHQDWIZVSHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2/c1-13(2)16-10-8-15(9-11-16)12-14(3)19-20-17-6-4-5-7-18(17)21-19/h4-11,13-14H,12H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole?
2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole has a molecular weight of 278.40 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 828176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).