N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide

C24H23N3O — CID 78876519

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C24H23N3O/c28-23(13-7-10-18-8-3-1-4-9-18)27-24(19-11-5-2-6-12-19)20-14-15-21-22(16-20)26-17-25-21/h1-6,8-9,11-12,14-17,24H,7,10,13H2,(H,25,26)(H,27,28)
InChIKeyYIZISYNDPLTVPP-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.79
Rot. Bonds7

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide (PubChem CID 78876519) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide
PubChem CID78876519
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C24H23N3O/c28-23(13-7-10-18-8-3-1-4-9-18)27-24(19-11-5-2-6-12-19)20-14-15-21-22(16-20)26-17-25-21/h1-6,8-9,11-12,14-17,24H,7,10,13H2,(H,25,26)(H,27,28)
InChIKeyYIZISYNDPLTVPP-UHFFFAOYSA-N
XLogP4.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(3-methoxyphenyl)propanamide
CID 24666701
N-[(S)-3H-benzimidazol-5-yl(phenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 25474476
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide
CID 78839236
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 86916761
N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 78886875
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 42883479
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119840634
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 78839255
N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide
CID 47018726
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 24621615
2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide
CID 110772427
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide
CID 78836794

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide (CID 78876519) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NC(c1ccccc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide?
The InChIKey is YIZISYNDPLTVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c28-23(13-7-10-18-8-3-1-4-9-18)27-24(19-11-5-2-6-12-19)20-14-15-21-22(16-20)26-17-25-21/h1-6,8-9,11-12,14-17,24H,7,10,13H2,(H,25,26)(H,27,28).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide has a molecular weight of 369.47 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 78876519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).