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

C19H18ClN3O5 — CID 54583668

IUPACN-(4-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
SMILESCOc1cc(-c2[nH]c(=O)[nH]c2C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C19H18ClN3O5/c1-26-13-8-10(9-14(27-2)17(13)28-3)15-16(23-19(25)22-15)18(24)21-12-6-4-11(20)5-7-12/h4-9H,1-3H3,(H,21,24)(H2,22,23,25)
InChIKeyLDQKAECROCMKIL-UHFFFAOYSA-N
MW403.82 g/mol
LogP3.30
Rot. Bonds6

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

N-(4-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide (PubChem CID 54583668) has the molecular formula C19H18ClN3O5 and a molecular weight of 403.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
PubChem CID54583668
Molecular FormulaC19H18ClN3O5
Molecular Weight403.82 g/mol
Exact Mass403.09
IUPAC NameN-(4-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
SMILESCOc1cc(-c2[nH]c(=O)[nH]c2C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C19H18ClN3O5/c1-26-13-8-10(9-14(27-2)17(13)28-3)15-16(23-19(25)22-15)18(24)21-12-6-4-11(20)5-7-12/h4-9H,1-3H3,(H,21,24)(H2,22,23,25)
InChIKeyLDQKAECROCMKIL-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-methoxyphenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
CID 54582696
N-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
CID 54586567
N-(3-nitrophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
CID 54583670
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-(4-chlorophenyl)-1-(3,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 155807144
5-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17433645
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 4794471
N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 2013125
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 59980667
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 3623294
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777
3,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102136

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide (CID 54583668) is N-(4-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide is COc1cc(-c2[nH]c(=O)[nH]c2C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is LDQKAECROCMKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5/c1-26-13-8-10(9-14(27-2)17(13)28-3)15-16(23-19(25)22-15)18(24)21-12-6-4-11(20)5-7-12/h4-9H,1-3H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-(4-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide?
N-(4-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-(4-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 54583668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).