N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide

C19H21N3O2 — CID 110610902

IUPACN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCCn1c(=O)[nH]c2ccccc21)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-14(15-7-3-2-4-8-15)13-18(23)20-11-12-22-17-10-6-5-9-16(17)21-19(22)24/h2-10,14H,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyFTWKZSAPLMRHIA-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.64
Rot. Bonds6

About N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide

N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide (PubChem CID 110610902) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide
PubChem CID110610902
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCCn1c(=O)[nH]c2ccccc21)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-14(15-7-3-2-4-8-15)13-18(23)20-11-12-22-17-10-6-5-9-16(17)21-19(22)24/h2-10,14H,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyFTWKZSAPLMRHIA-UHFFFAOYSA-N
XLogP2.64
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
2-(dimethylamino)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110610901
3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide
CID 110420339
phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate
CID 110400773
2-(2-methoxyphenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
CID 110400765
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
CID 21273383
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3-methylbutanamide
CID 113092201
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110400789
5-(4-fluorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pentanamide
CID 110617564
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide
CID 110396269

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide?
The IUPAC name of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide (CID 110610902) is N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide.
What is the SMILES notation for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide?
The canonical SMILES for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide is CC(CC(=O)NCCn1c(=O)[nH]c2ccccc21)c1ccccc1.
What is the InChIKey of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide?
The InChIKey is FTWKZSAPLMRHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14(15-7-3-2-4-8-15)13-18(23)20-11-12-22-17-10-6-5-9-16(17)21-19(22)24/h2-10,14H,11-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide?
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide has a molecular weight of 323.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide is sourced from PubChem (CID 110610902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).