1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide

C20H19ClN4O5 — CID 42904814

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide
SMILESCOc1cc(OC)c(N2CC(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2=O)cc1Cl
InChIInChI=1S/C20H19ClN4O5/c1-29-16-8-17(30-2)15(7-12(16)21)25-9-10(5-18(25)26)19(27)22-11-3-4-13-14(6-11)24-20(28)23-13/h3-4,6-8,10H,5,9H2,1-2H3,(H,22,27)(H2,23,24,28)
InChIKeyVJVNPXBLBSXRGV-UHFFFAOYSA-N
MW430.85 g/mol
LogP2.52
Rot. Bonds5

About 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide

1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 42904814) has the molecular formula C20H19ClN4O5 and a molecular weight of 430.85 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID42904814
Molecular FormulaC20H19ClN4O5
Molecular Weight430.85 g/mol
Exact Mass430.10
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide
SMILESCOc1cc(OC)c(N2CC(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2=O)cc1Cl
InChIInChI=1S/C20H19ClN4O5/c1-29-16-8-17(30-2)15(7-12(16)21)25-9-10(5-18(25)26)19(27)22-11-3-4-13-14(6-11)24-20(28)23-13/h3-4,6-8,10H,5,9H2,1-2H3,(H,22,27)(H2,23,24,28)
InChIKeyVJVNPXBLBSXRGV-UHFFFAOYSA-N
XLogP2.52
TPSA116.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.85
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394737
(3R)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 51533322
N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417
1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191496
N-(3-chloro-4-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185946
N-(3,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335202
N-(1H-indazol-6-yl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108788368
(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 26360848
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
1-(4-chloro-2-methoxy-5-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191493
N-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188478
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17308597

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide (CID 42904814) is 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide is COc1cc(OC)c(N2CC(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2=O)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is VJVNPXBLBSXRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O5/c1-29-16-8-17(30-2)15(7-12(16)21)25-9-10(5-18(25)26)19(27)22-11-3-4-13-14(6-11)24-20(28)23-13/h3-4,6-8,10H,5,9H2,1-2H3,(H,22,27)(H2,23,24,28).
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide?
1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 430.85 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42904814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).