3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide

C18H19N3O2 — CID 110785273

IUPAC3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
SMILESCc1cccc(CCC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C18H19N3O2/c1-12-3-2-4-13(9-12)6-8-17(22)19-11-14-5-7-15-16(10-14)21-18(23)20-15/h2-5,7,9-10H,6,8,11H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyONXCTZCSGQSISK-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.41
Rot. Bonds5

About 3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide

3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide (PubChem CID 110785273) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
PubChem CID110785273
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
SMILESCc1cccc(CCC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C18H19N3O2/c1-12-3-2-4-13(9-12)6-8-17(22)19-11-14-5-7-15-16(10-14)21-18(23)20-15/h2-5,7,9-10H,6,8,11H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyONXCTZCSGQSISK-UHFFFAOYSA-N
XLogP2.41
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390393
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 110390084
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
4-oxo-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]butanoic acid
CID 82501247
2-(3-methoxyphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 110785285
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 110791217
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108933890

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide (CID 110785273) is 3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide is Cc1cccc(CCC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide?
The InChIKey is ONXCTZCSGQSISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-3-2-4-13(9-12)6-8-17(22)19-11-14-5-7-15-16(10-14)21-18(23)20-15/h2-5,7,9-10H,6,8,11H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of 3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide?
3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide has a molecular weight of 309.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide is sourced from PubChem (CID 110785273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).