2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole

C28H30N2 — CID 40592569

IUPAC2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole
SMILESCC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2C/C=C\c2ccccc2)cc1
InChIInChI=1S/C28H30N2/c1-21(2)20-24-15-17-25(18-16-24)22(3)28-29-26-13-7-8-14-27(26)30(28)19-9-12-23-10-5-4-6-11-23/h4-18,21-22H,19-20H2,1-3H3/b12-9-/t22-/m1/s1
InChIKeyZWBDZVWZZHPCFY-REBWPMHBSA-N
MW394.56 g/mol
LogP7.10
Rot. Bonds7

About 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole

2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole (PubChem CID 40592569) has the molecular formula C28H30N2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole.

Molecular Properties

Compound Name2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole
PubChem CID40592569
Molecular FormulaC28H30N2
Molecular Weight394.56 g/mol
Exact Mass394.24
IUPAC Name2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole
SMILESCC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2C/C=C\c2ccccc2)cc1
InChIInChI=1S/C28H30N2/c1-21(2)20-24-15-17-25(18-16-24)22(3)28-29-26-13-7-8-14-27(26)30(28)19-9-12-23-10-5-4-6-11-23/h4-18,21-22H,19-20H2,1-3H3/b12-9-/t22-/m1/s1
InChIKeyZWBDZVWZZHPCFY-REBWPMHBSA-N
XLogP7.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 18811235
2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16987231
1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7011097
1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7025660
1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 5130379
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole
CID 94366022
1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7005495
1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 94366017
1-hexyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3851676
2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-propan-2-ylbenzimidazole
CID 6998169
2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-2-ylmethyl)benzimidazole
CID 70688122
methyl 2-[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]acetate
CID 16996305

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole?
The IUPAC name of 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole (CID 40592569) is 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole.
What is the SMILES notation for 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole?
The canonical SMILES for 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole is CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2C/C=C\c2ccccc2)cc1.
What is the InChIKey of 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole?
The InChIKey is ZWBDZVWZZHPCFY-REBWPMHBSA-N. The full InChI is InChI=1S/C28H30N2/c1-21(2)20-24-15-17-25(18-16-24)22(3)28-29-26-13-7-8-14-27(26)30(28)19-9-12-23-10-5-4-6-11-23/h4-18,21-22H,19-20H2,1-3H3/b12-9-/t22-/m1/s1.
What are the key properties of 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole?
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole has a molecular weight of 394.56 g/mol, XLogP of 7.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole is sourced from PubChem (CID 40592569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).