N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide

C29H24ClN3O — CID 3739139

IUPACN-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide
SMILESO=C(NC(Cc1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C29H24ClN3O/c30-24-17-15-22(16-18-24)20-33-27-14-8-7-13-25(27)31-28(33)26(19-21-9-3-1-4-10-21)32-29(34)23-11-5-2-6-12-23/h1-18,26H,19-20H2,(H,32,34)
InChIKeyYFTQFBKVCGFYPL-UHFFFAOYSA-N
MW465.98 g/mol
LogP6.45
Rot. Bonds7

About N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide

N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide (PubChem CID 3739139) has the molecular formula C29H24ClN3O and a molecular weight of 465.98 g/mol. Its IUPAC name is N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide
PubChem CID3739139
Molecular FormulaC29H24ClN3O
Molecular Weight465.98 g/mol
Exact Mass465.16
IUPAC NameN-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide
SMILESO=C(NC(Cc1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C29H24ClN3O/c30-24-17-15-22(16-18-24)20-33-27-14-8-7-13-25(27)31-28(33)26(19-21-9-3-1-4-10-21)32-29(34)23-11-5-2-6-12-23/h1-18,26H,19-20H2,(H,32,34)
InChIKeyYFTQFBKVCGFYPL-UHFFFAOYSA-N
XLogP6.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.98
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(2-hydroxyethyl)benzimidazol-2-yl]-2-phenylethyl]benzamide
CID 4738031
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
4-chloro-N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009491
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide
CID 1111773
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17009493
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide
CID 110204364
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009483
4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55935379

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide?
The IUPAC name of N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide (CID 3739139) is N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide.
What is the SMILES notation for N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide?
The canonical SMILES for N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide is O=C(NC(Cc1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide?
The InChIKey is YFTQFBKVCGFYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN3O/c30-24-17-15-22(16-18-24)20-33-27-14-8-7-13-25(27)31-28(33)26(19-21-9-3-1-4-10-21)32-29(34)23-11-5-2-6-12-23/h1-18,26H,19-20H2,(H,32,34).
What are the key properties of N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide?
N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide has a molecular weight of 465.98 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide is sourced from PubChem (CID 3739139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).