N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide

C18H19N3O2 — CID 155518930

IUPACN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-12(14-5-3-2-4-6-14)9-17(22)19-11-13-7-8-15-16(10-13)21-18(23)20-15/h2-8,10,12H,9,11H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyRZOGGCPIZGOCNR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.67
Rot. Bonds5

About N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide

N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide (PubChem CID 155518930) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide
PubChem CID155518930
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-12(14-5-3-2-4-6-14)9-17(22)19-11-13-7-8-15-16(10-13)21-18(23)20-15/h2-8,10,12H,9,11H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyRZOGGCPIZGOCNR-UHFFFAOYSA-N
XLogP2.67
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide
CID 155558764
3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide
CID 91776883
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
4-oxo-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]butanoic acid
CID 82501247
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide
CID 78810531
2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]sulfanylacetic acid
CID 120550099
N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 134039082
N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 11209167
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide
CID 110625359
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772085
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylbutanamide
CID 27170074

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide?
The IUPAC name of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide (CID 155518930) is N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide.
What is the SMILES notation for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide?
The canonical SMILES for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide is CC(CC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1.
What is the InChIKey of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide?
The InChIKey is RZOGGCPIZGOCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12(14-5-3-2-4-6-14)9-17(22)19-11-13-7-8-15-16(10-13)21-18(23)20-15/h2-8,10,12H,9,11H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide?
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide has a molecular weight of 309.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide is sourced from PubChem (CID 155518930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).