N-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide

C19H18ClN3O5 — CID 54586567

IUPACN-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
SMILESCOc1cc(-c2[nH]c(=O)[nH]c2C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C19H18ClN3O5/c1-26-13-7-10(8-14(27-2)17(13)28-3)15-16(23-19(25)22-15)18(24)21-12-6-4-5-11(20)9-12/h4-9H,1-3H3,(H,21,24)(H2,22,23,25)
InChIKeyGYSNAEXBWLIIQW-UHFFFAOYSA-N
MW403.82 g/mol
LogP3.30
Rot. Bonds6

About N-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide

N-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide (PubChem CID 54586567) has the molecular formula C19H18ClN3O5 and a molecular weight of 403.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
PubChem CID54586567
Molecular FormulaC19H18ClN3O5
Molecular Weight403.82 g/mol
Exact Mass403.09
IUPAC NameN-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
SMILESCOc1cc(-c2[nH]c(=O)[nH]c2C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C19H18ClN3O5/c1-26-13-7-10(8-14(27-2)17(13)28-3)15-16(23-19(25)22-15)18(24)21-12-6-4-5-11(20)9-12/h4-9H,1-3H3,(H,21,24)(H2,22,23,25)
InChIKeyGYSNAEXBWLIIQW-UHFFFAOYSA-N
XLogP3.30
TPSA105.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
CID 54583668
N-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
CID 54583670
N-(4-methoxyphenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
CID 54582696
N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987070
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393
N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78793058
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
(4R)-N-(3-chlorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124225
N-(3-chlorophenyl)-3,4,5-trimethoxyaniline
CID 102029180
1-(3-chlorophenyl)-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 19172582
N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide (CID 54586567) is N-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide is COc1cc(-c2[nH]c(=O)[nH]c2C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is GYSNAEXBWLIIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5/c1-26-13-7-10(8-14(27-2)17(13)28-3)15-16(23-19(25)22-15)18(24)21-12-6-4-5-11(20)9-12/h4-9H,1-3H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide?
N-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 403.82 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 54586567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).