(3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide

C30H34ClN5O — CID 89115928

IUPAC(3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCC1(c2cccc(-c3cccc(Cl)c3)c2)CN(C[C@H]2CCN(C(=O)NCCc3ccccc3)C2)C(N)=N1
InChIInChI=1S/C30H34ClN5O/c1-30(26-11-5-9-24(17-26)25-10-6-12-27(31)18-25)21-36(28(32)34-30)20-23-14-16-35(19-23)29(37)33-15-13-22-7-3-2-4-8-22/h2-12,17-18,23H,13-16,19-21H2,1H3,(H2,32,34)(H,33,37)/t23-,30?/m0/s1
InChIKeyOGYNFTLZMZYLJV-IHOKFDBFSA-N
MW516.09 g/mol
LogP5.13
Rot. Bonds7

About (3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide

(3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide (PubChem CID 89115928) has the molecular formula C30H34ClN5O and a molecular weight of 516.09 g/mol. Its IUPAC name is (3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
PubChem CID89115928
Molecular FormulaC30H34ClN5O
Molecular Weight516.09 g/mol
Exact Mass515.25
IUPAC Name(3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCC1(c2cccc(-c3cccc(Cl)c3)c2)CN(C[C@H]2CCN(C(=O)NCCc3ccccc3)C2)C(N)=N1
InChIInChI=1S/C30H34ClN5O/c1-30(26-11-5-9-24(17-26)25-10-6-12-27(31)18-25)21-36(28(32)34-30)20-23-14-16-35(19-23)29(37)33-15-13-22-7-3-2-4-8-22/h2-12,17-18,23H,13-16,19-21H2,1H3,(H2,32,34)(H,33,37)/t23-,30?/m0/s1
InChIKeyOGYNFTLZMZYLJV-IHOKFDBFSA-N
XLogP5.13
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.09
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-3-[[(3R)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]methyl]imidazol-4-one
CID 158169162
(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride
CID 154904649
N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide
CID 166321620
4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 145461739
(5S)-2-amino-3-[[(3R)-1-benzylsulfonylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one
CID 70128104
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 92731410
1-[[(3R)-1-acetylpyrrolidin-3-yl]methyl]-3-[3-(3-chlorophenyl)phenyl]-5-imino-3-methylpyrrolidin-2-one
CID 59388176
2-amino-3-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-5-[3-(3-hydroxyphenyl)phenyl]-5-methylimidazol-4-one
CID 89247921
(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 95057746
N-(2-phenylethyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905600
3-[2-[(4-aminopiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 63793349
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide (CID 89115928) is (3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide is CC1(c2cccc(-c3cccc(Cl)c3)c2)CN(C[C@H]2CCN(C(=O)NCCc3ccccc3)C2)C(N)=N1.
What is the InChIKey of (3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The InChIKey is OGYNFTLZMZYLJV-IHOKFDBFSA-N. The full InChI is InChI=1S/C30H34ClN5O/c1-30(26-11-5-9-24(17-26)25-10-6-12-27(31)18-25)21-36(28(32)34-30)20-23-14-16-35(19-23)29(37)33-15-13-22-7-3-2-4-8-22/h2-12,17-18,23H,13-16,19-21H2,1H3,(H2,32,34)(H,33,37)/t23-,30?/m0/s1.
What are the key properties of (3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
(3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide has a molecular weight of 516.09 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-4H-imidazol-3-yl]methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 89115928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).