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

C21H24ClN3O2 — CID 110617647

IUPAC3-(4-chlorophenyl)-3-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
SMILESCC(C)(CC(=O)NCCCn1c(=O)[nH]c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O2/c1-21(2,15-8-10-16(22)11-9-15)14-19(26)23-12-5-13-25-18-7-4-3-6-17(18)24-20(25)27/h3-4,6-11H,5,12-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyMAIHQMDLOHYRGC-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.86
Rot. Bonds7

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

3-(4-chlorophenyl)-3-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide (PubChem CID 110617647) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
PubChem CID110617647
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name3-(4-chlorophenyl)-3-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
SMILESCC(C)(CC(=O)NCCCn1c(=O)[nH]c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O2/c1-21(2,15-8-10-16(22)11-9-15)14-19(26)23-12-5-13-25-18-7-4-3-6-17(18)24-20(25)27/h3-4,6-11H,5,12-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyMAIHQMDLOHYRGC-UHFFFAOYSA-N
XLogP3.86
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419732
2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide
CID 110419711
6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
CID 21273383
4-(2-methylphenyl)-4-oxo-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
CID 110611000
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
2-methyl-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]propanoic acid
CID 81222378
3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide
CID 110420339
3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
CID 110419764
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
(E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]prop-2-enamide
CID 110617575
3-methoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419698

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide (CID 110617647) is 3-(4-chlorophenyl)-3-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide is CC(C)(CC(=O)NCCCn1c(=O)[nH]c2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide?
The InChIKey is MAIHQMDLOHYRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-21(2,15-8-10-16(22)11-9-15)14-19(26)23-12-5-13-25-18-7-4-3-6-17(18)24-20(25)27/h3-4,6-11H,5,12-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 3-(4-chlorophenyl)-3-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide?
3-(4-chlorophenyl)-3-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide has a molecular weight of 385.90 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide is sourced from PubChem (CID 110617647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).