(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C22H23ClN4O4 — CID 36516204

IUPAC(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(OC)c(N2C[C@H](C(=O)N(C)Cc3nc4ccccc4[nH]3)CC2=O)cc1Cl
InChIInChI=1S/C22H23ClN4O4/c1-26(12-20-24-15-6-4-5-7-16(15)25-20)22(29)13-8-21(28)27(11-13)17-9-14(23)18(30-2)10-19(17)31-3/h4-7,9-10,13H,8,11-12H2,1-3H3,(H,24,25)/t13-/m1/s1
InChIKeyGMCYOBZBYBLWPE-CYBMUJFWSA-N
MW442.90 g/mol
LogP3.24
Rot. Bonds6

About (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 36516204) has the molecular formula C22H23ClN4O4 and a molecular weight of 442.90 g/mol. Its IUPAC name is (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID36516204
Molecular FormulaC22H23ClN4O4
Molecular Weight442.90 g/mol
Exact Mass442.14
IUPAC Name(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(OC)c(N2C[C@H](C(=O)N(C)Cc3nc4ccccc4[nH]3)CC2=O)cc1Cl
InChIInChI=1S/C22H23ClN4O4/c1-26(12-20-24-15-6-4-5-7-16(15)25-20)22(29)13-8-21(28)27(11-13)17-9-14(23)18(30-2)10-19(17)31-3/h4-7,9-10,13H,8,11-12H2,1-3H3,(H,24,25)/t13-/m1/s1
InChIKeyGMCYOBZBYBLWPE-CYBMUJFWSA-N
XLogP3.24
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55585273
(4R)-N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethyl-2-oxopiperidine-4-carboxamide
CID 94037007
N-(1H-benzimidazol-2-yl)-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650160
N-(1H-benzimidazol-2-ylmethyl)-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55683049
N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
CID 36516588
(3S)-1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9449928
3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42903261
1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxamide
CID 42904814
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 35385496
1-(5-chloro-2-methoxyphenyl)-N-methoxy-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51148983
N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 134009710
(3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 31151033

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 36516204) is (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is COc1cc(OC)c(N2C[C@H](C(=O)N(C)Cc3nc4ccccc4[nH]3)CC2=O)cc1Cl.
What is the InChIKey of (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GMCYOBZBYBLWPE-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23ClN4O4/c1-26(12-20-24-15-6-4-5-7-16(15)25-20)22(29)13-8-21(28)27(11-13)17-9-14(23)18(30-2)10-19(17)31-3/h4-7,9-10,13H,8,11-12H2,1-3H3,(H,24,25)/t13-/m1/s1.
What are the key properties of (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 442.90 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1H-benzimidazol-2-ylmethyl)-1-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 36516204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).