1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide

C23H25ClN4O3 — CID 174460554

IUPAC1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide
SMILESCOC[C@@H]1CCCN1NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2cccc(OC)c2)n1
InChIInChI=1S/C23H25ClN4O3/c1-30-15-19-6-4-12-28(19)26-23(29)21-14-27(18-10-8-17(24)9-11-18)22(25-21)16-5-3-7-20(13-16)31-2/h3,5,7-11,13-14,19H,4,6,12,15H2,1-2H3,(H,26,29)/t19-/m0/s1
InChIKeyPPOZOCQDBNKVQM-IBGZPJMESA-N
MW440.93 g/mol
LogP3.96
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide

1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide (PubChem CID 174460554) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide
PubChem CID174460554
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide
SMILESCOC[C@@H]1CCCN1NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2cccc(OC)c2)n1
InChIInChI=1S/C23H25ClN4O3/c1-30-15-19-6-4-12-28(19)26-23(29)21-14-27(18-10-8-17(24)9-11-18)22(25-21)16-5-3-7-20(13-16)31-2/h3,5,7-11,13-14,19H,4,6,12,15H2,1-2H3,(H,26,29)/t19-/m0/s1
InChIKeyPPOZOCQDBNKVQM-IBGZPJMESA-N
XLogP3.96
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-N-cyclohexyl-2-(3-methoxyphenyl)imidazole-4-carboxamide
CID 174473521
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317
2-[2-(aminomethyl)phenyl]-1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazole-4-carboxamide
CID 174460654
2-(3-methoxyphenyl)-1-(3-methylphenyl)imidazole-4-carboxylic acid
CID 94946721
1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946709
2-[[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide
CID 2401925
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide
CID 20788830
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 69112066
N-(4-chlorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690070
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
CID 69112097
2-(4-chlorophenoxy)-1-[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 7360540
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68920034

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide (CID 174460554) is 1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide is COC[C@@H]1CCCN1NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2cccc(OC)c2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide?
The InChIKey is PPOZOCQDBNKVQM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-30-15-19-6-4-12-28(19)26-23(29)21-14-27(18-10-8-17(24)9-11-18)22(25-21)16-5-3-7-20(13-16)31-2/h3,5,7-11,13-14,19H,4,6,12,15H2,1-2H3,(H,26,29)/t19-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide?
1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide has a molecular weight of 440.93 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 174460554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).