4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide

C19H20ClN3O2 — CID 110420297

IUPAC4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide
SMILESO=C(CCCc1cccc(Cl)c1)NCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C19H20ClN3O2/c20-15-7-3-5-14(13-15)6-4-10-18(24)21-11-12-23-17-9-2-1-8-16(17)22-19(23)25/h1-3,5,7-9,13H,4,6,10-12H2,(H,21,24)(H,22,25)
InChIKeyDLNISBYTIIWMFE-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.12
Rot. Bonds7

About 4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide

4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide (PubChem CID 110420297) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide
PubChem CID110420297
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide
SMILESO=C(CCCc1cccc(Cl)c1)NCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C19H20ClN3O2/c20-15-7-3-5-14(13-15)6-4-10-18(24)21-11-12-23-17-9-2-1-8-16(17)22-19(23)25/h1-3,5,7-9,13H,4,6,10-12H2,(H,21,24)(H,22,25)
InChIKeyDLNISBYTIIWMFE-UHFFFAOYSA-N
XLogP3.12
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pentanamide
CID 110617564
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
CID 110420411
3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
CID 110610959
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110400789
6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
CID 21273383
N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
(E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]prop-2-enamide
CID 110617575
2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide
CID 110419711
2-(2-methoxyphenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
CID 110400765
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide (CID 110420297) is 4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide is O=C(CCCc1cccc(Cl)c1)NCCn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide?
The InChIKey is DLNISBYTIIWMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-15-7-3-5-14(13-15)6-4-10-18(24)21-11-12-23-17-9-2-1-8-16(17)22-19(23)25/h1-3,5,7-9,13H,4,6,10-12H2,(H,21,24)(H,22,25).
What are the key properties of 4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide?
4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide has a molecular weight of 357.84 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide is sourced from PubChem (CID 110420297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).