3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide

C20H23N3O3 — CID 110419764

IUPAC3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
SMILESCOc1ccccc1CCC(=O)NCCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C20H23N3O3/c1-26-18-10-5-2-7-15(18)11-12-19(24)21-13-6-14-23-17-9-4-3-8-16(17)22-20(23)25/h2-5,7-10H,6,11-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyBLMMWNWCBPBGGA-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.48
Rot. Bonds8

About 3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide

3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide (PubChem CID 110419764) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
PubChem CID110419764
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
SMILESCOc1ccccc1CCC(=O)NCCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C20H23N3O3/c1-26-18-10-5-2-7-15(18)11-12-19(24)21-13-6-14-23-17-9-4-3-8-16(17)22-20(23)25/h2-5,7-10H,6,11-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyBLMMWNWCBPBGGA-UHFFFAOYSA-N
XLogP2.48
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]urea
CID 110610908
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
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 39043523
2-(2-methoxyphenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
CID 110400765
2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide
CID 110419711
3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419706
4-(2-methylphenyl)-4-oxo-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
CID 110611000
N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
CID 106843312
6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
CID 21273383
3-methoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419698
5-(4-fluorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pentanamide
CID 110617564

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide (CID 110419764) is 3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide is COc1ccccc1CCC(=O)NCCCn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide?
The InChIKey is BLMMWNWCBPBGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-18-10-5-2-7-15(18)11-12-19(24)21-13-6-14-23-17-9-4-3-8-16(17)22-20(23)25/h2-5,7-10H,6,11-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide?
3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide has a molecular weight of 353.42 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide is sourced from PubChem (CID 110419764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).