N-benzhydryl-2-(benzimidazol-1-yl)propanamide

C23H21N3O — CID 112781098

IUPACN-benzhydryl-2-(benzimidazol-1-yl)propanamide
SMILESCC(C(=O)NC(c1ccccc1)c1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C23H21N3O/c1-17(26-16-24-20-14-8-9-15-21(20)26)23(27)25-22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-17,22H,1H3,(H,25,27)
InChIKeyMYZVFVDJBCADRO-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.50
Rot. Bonds5

About N-benzhydryl-2-(benzimidazol-1-yl)propanamide

N-benzhydryl-2-(benzimidazol-1-yl)propanamide (PubChem CID 112781098) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-benzhydryl-2-(benzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-benzhydryl-2-(benzimidazol-1-yl)propanamide
PubChem CID112781098
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-benzhydryl-2-(benzimidazol-1-yl)propanamide
SMILESCC(C(=O)NC(c1ccccc1)c1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C23H21N3O/c1-17(26-16-24-20-14-8-9-15-21(20)26)23(27)25-22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-17,22H,1H3,(H,25,27)
InChIKeyMYZVFVDJBCADRO-UHFFFAOYSA-N
XLogP4.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 39059871
(2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide
CID 99804213
2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid
CID 62697653
2-(benzimidazol-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855843
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 43063887
(2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 95142229
(2S)-2-(benzimidazol-1-yl)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 95142230
3-(benzimidazol-1-yl)butanoic acid
CID 6486725
(2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide
CID 129432897
2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 75679386

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(benzimidazol-1-yl)propanamide?
The IUPAC name of N-benzhydryl-2-(benzimidazol-1-yl)propanamide (CID 112781098) is N-benzhydryl-2-(benzimidazol-1-yl)propanamide.
What is the SMILES notation for N-benzhydryl-2-(benzimidazol-1-yl)propanamide?
The canonical SMILES for N-benzhydryl-2-(benzimidazol-1-yl)propanamide is CC(C(=O)NC(c1ccccc1)c1ccccc1)n1cnc2ccccc21.
What is the InChIKey of N-benzhydryl-2-(benzimidazol-1-yl)propanamide?
The InChIKey is MYZVFVDJBCADRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-17(26-16-24-20-14-8-9-15-21(20)26)23(27)25-22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-17,22H,1H3,(H,25,27).
What are the key properties of N-benzhydryl-2-(benzimidazol-1-yl)propanamide?
N-benzhydryl-2-(benzimidazol-1-yl)propanamide has a molecular weight of 355.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(benzimidazol-1-yl)propanamide is sourced from PubChem (CID 112781098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).