N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide

C20H23N3O2 — CID 42896336

IUPACN-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide
SMILESCC(c1ccccc1)N(C)C(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C20H23N3O2/c1-15(16-9-5-4-6-10-16)21(2)19(24)13-14-23-18-12-8-7-11-17(18)22(3)20(23)25/h4-12,15H,13-14H2,1-3H3
InChIKeyCAVPWJDKEDLCQM-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.95
Rot. Bonds5

About N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide

N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide (PubChem CID 42896336) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide
PubChem CID42896336
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide
SMILESCC(c1ccccc1)N(C)C(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C20H23N3O2/c1-15(16-9-5-4-6-10-16)21(2)19(24)13-14-23-18-12-8-7-11-17(18)22(3)20(23)25/h4-12,15H,13-14H2,1-3H3
InChIKeyCAVPWJDKEDLCQM-UHFFFAOYSA-N
XLogP2.95
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18134876
1-methyl-3-(3-methylbutyl)benzimidazol-2-one
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3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide
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N-(1-cyclopropylethyl)-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 24688341
N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
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N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18142231
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46448670
N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
CID 46688043
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide (CID 42896336) is N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide is CC(c1ccccc1)N(C)C(=O)CCn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is CAVPWJDKEDLCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15(16-9-5-4-6-10-16)21(2)19(24)13-14-23-18-12-8-7-11-17(18)22(3)20(23)25/h4-12,15H,13-14H2,1-3H3.
What are the key properties of N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide?
N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 337.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 42896336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).