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

C23H26ClN5O2 — CID 174460654

IUPAC2-[2-(aminomethyl)phenyl]-1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazole-4-carboxamide
SMILESCOC[C@@H]1CCCN1NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2CN)n1
InChIInChI=1S/C23H26ClN5O2/c1-31-15-19-6-4-12-29(19)27-23(30)21-14-28(18-10-8-17(24)9-11-18)22(26-21)20-7-3-2-5-16(20)13-25/h2-3,5,7-11,14,19H,4,6,12-13,15,25H2,1H3,(H,27,30)/t19-/m0/s1
InChIKeyPWRYYOBFAYEPKL-IBGZPJMESA-N
MW439.95 g/mol
LogP3.41
Rot. Bonds7

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

2-[2-(aminomethyl)phenyl]-1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazole-4-carboxamide (PubChem CID 174460654) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazole-4-carboxamide
PubChem CID174460654
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC Name2-[2-(aminomethyl)phenyl]-1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazole-4-carboxamide
SMILESCOC[C@@H]1CCCN1NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2CN)n1
InChIInChI=1S/C23H26ClN5O2/c1-31-15-19-6-4-12-29(19)27-23(30)21-14-28(18-10-8-17(24)9-11-18)22(26-21)20-7-3-2-5-16(20)13-25/h2-3,5,7-11,14,19H,4,6,12-13,15,25H2,1H3,(H,27,30)/t19-/m0/s1
InChIKeyPWRYYOBFAYEPKL-IBGZPJMESA-N
XLogP3.41
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)imidazole-4-carboxamide
CID 174460554
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide
CID 155116204
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide
CID 86591637
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68920034
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide
CID 10300161
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)-N-morpholin-4-ylimidazole-4-carboxamide
CID 22285405
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]imidazole-4-carboxamide
CID 23398430
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
1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946709
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-(methoxymethyl)-N-phenylpyrrolidin-1-amine
CID 91183641

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazole-4-carboxamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazole-4-carboxamide (CID 174460654) is 2-[2-(aminomethyl)phenyl]-1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazole-4-carboxamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazole-4-carboxamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazole-4-carboxamide is COC[C@@H]1CCCN1NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2CN)n1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazole-4-carboxamide?
The InChIKey is PWRYYOBFAYEPKL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-31-15-19-6-4-12-29(19)27-23(30)21-14-28(18-10-8-17(24)9-11-18)22(26-21)20-7-3-2-5-16(20)13-25/h2-3,5,7-11,14,19H,4,6,12-13,15,25H2,1H3,(H,27,30)/t19-/m0/s1.
What are the key properties of 2-[2-(aminomethyl)phenyl]-1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazole-4-carboxamide?
2-[2-(aminomethyl)phenyl]-1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazole-4-carboxamide has a molecular weight of 439.95 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazole-4-carboxamide is sourced from PubChem (CID 174460654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).