3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide

C25H25N3O3 — CID 46979127

IUPAC3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide
SMILESCOc1ccccc1-c1ccc(NC(=O)CCc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C25H25N3O3/c1-27-21-14-8-17(16-22(21)28(2)25(27)30)9-15-24(29)26-19-12-10-18(11-13-19)20-6-4-5-7-23(20)31-3/h4-8,10-14,16H,9,15H2,1-3H3,(H,26,29)
InChIKeyJIBSYSNIPBYHRO-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.12
Rot. Bonds6

About 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide

3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide (PubChem CID 46979127) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide
PubChem CID46979127
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide
SMILESCOc1ccccc1-c1ccc(NC(=O)CCc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C25H25N3O3/c1-27-21-14-8-17(16-22(21)28(2)25(27)30)9-15-24(29)26-19-12-10-18(11-13-19)20-6-4-5-7-23(20)31-3/h4-8,10-14,16H,9,15H2,1-3H3,(H,26,29)
InChIKeyJIBSYSNIPBYHRO-UHFFFAOYSA-N
XLogP4.12
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-methylphenyl)propanamide
CID 110778944
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-ethylphenyl)propanamide
CID 49170000
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 6458101
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methylphenyl)propanamide
CID 110778945
N-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110683459
3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methylphenyl)propanamide
CID 53030448
3-(3,4-dimethoxyphenyl)-N-(2-phenylphenyl)propanamide
CID 26727200
N-(2-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 7929170
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 49295966
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165762

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide?
The IUPAC name of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide (CID 46979127) is 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide.
What is the SMILES notation for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide?
The canonical SMILES for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide is COc1ccccc1-c1ccc(NC(=O)CCc2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide?
The InChIKey is JIBSYSNIPBYHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-27-21-14-8-17(16-22(21)28(2)25(27)30)9-15-24(29)26-19-12-10-18(11-13-19)20-6-4-5-7-23(20)31-3/h4-8,10-14,16H,9,15H2,1-3H3,(H,26,29).
What are the key properties of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide?
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide has a molecular weight of 415.49 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[4-(2-methoxyphenyl)phenyl]propanamide is sourced from PubChem (CID 46979127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).