N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide

C18H19N3O4 — CID 110701203

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccc3[nH]c(=O)[nH]c23)cc1OC
InChIInChI=1S/C18H19N3O4/c1-24-14-7-6-11(10-15(14)25-2)8-9-19-17(22)12-4-3-5-13-16(12)21-18(23)20-13/h3-7,10H,8-9H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyHMMMFVVURYLRCW-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.85
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide (PubChem CID 110701203) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
PubChem CID110701203
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccc3[nH]c(=O)[nH]c23)cc1OC
InChIInChI=1S/C18H19N3O4/c1-24-14-7-6-11(10-15(14)25-2)8-9-19-17(22)12-4-3-5-13-16(12)21-18(23)20-13/h3-7,10H,8-9H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyHMMMFVVURYLRCW-UHFFFAOYSA-N
XLogP1.85
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701179
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143
N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 9404380
2-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 110451906
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78903767
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 43813806
N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide
CID 17401154
N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4094581
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide (CID 110701203) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide is COc1ccc(CCNC(=O)c2cccc3[nH]c(=O)[nH]c23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide?
The InChIKey is HMMMFVVURYLRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-14-7-6-11(10-15(14)25-2)8-9-19-17(22)12-4-3-5-13-16(12)21-18(23)20-13/h3-7,10H,8-9H2,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide is sourced from PubChem (CID 110701203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).