N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

C26H27N3O — CID 16967343

IUPACN-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(C)c1ccc(Cn2c(C(C)NC(=O)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C26H27N3O/c1-18(2)21-15-13-20(14-16-21)17-29-24-12-8-7-11-23(24)28-25(29)19(3)27-26(30)22-9-5-4-6-10-22/h4-16,18-19H,17H2,1-3H3,(H,27,30)
InChIKeyQKFWGEPHBOVWFZ-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.70
Rot. Bonds6

About N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16967343) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16967343
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC NameN-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(C)c1ccc(Cn2c(C(C)NC(=O)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C26H27N3O/c1-18(2)21-15-13-20(14-16-21)17-29-24-12-8-7-11-23(24)28-25(29)19(3)27-26(30)22-9-5-4-6-10-22/h4-16,18-19H,17H2,1-3H3,(H,27,30)
InChIKeyQKFWGEPHBOVWFZ-UHFFFAOYSA-N
XLogP5.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010286
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010126
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17009493
N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 40910160
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754925
4-chloro-N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009491
N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965407
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968280
4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009483

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 16967343) is N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is CC(C)c1ccc(Cn2c(C(C)NC(=O)c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is QKFWGEPHBOVWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-18(2)21-15-13-20(14-16-21)17-29-24-12-8-7-11-23(24)28-25(29)19(3)27-26(30)22-9-5-4-6-10-22/h4-16,18-19H,17H2,1-3H3,(H,27,30).
What are the key properties of N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 397.52 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16967343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).