1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one

C30H29N3O2 — CID 52946016

IUPAC1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
SMILESCc1[nH]c(C(=O)[C@@H]2CCCN2C(=O)CCc2ccc(-c3ccccc3)cc2)nc1-c1ccccc1
InChIInChI=1S/C30H29N3O2/c1-21-28(25-11-6-3-7-12-25)32-30(31-21)29(35)26-13-8-20-33(26)27(34)19-16-22-14-17-24(18-15-22)23-9-4-2-5-10-23/h2-7,9-12,14-15,17-18,26H,8,13,16,19-20H2,1H3,(H,31,32)/t26-/m0/s1
InChIKeyUTNWDYIBESCTPV-SANMLTNESA-N
MW463.58 g/mol
LogP5.86
Rot. Bonds7

About 1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one

1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one (PubChem CID 52946016) has the molecular formula C30H29N3O2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
PubChem CID52946016
Molecular FormulaC30H29N3O2
Molecular Weight463.58 g/mol
Exact Mass463.23
IUPAC Name1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
SMILESCc1[nH]c(C(=O)[C@@H]2CCCN2C(=O)CCc2ccc(-c3ccccc3)cc2)nc1-c1ccccc1
InChIInChI=1S/C30H29N3O2/c1-21-28(25-11-6-3-7-12-25)32-30(31-21)29(35)26-13-8-20-33(26)27(34)19-16-22-14-17-24(18-15-22)23-9-4-2-5-10-23/h2-7,9-12,14-15,17-18,26H,8,13,16,19-20H2,1H3,(H,31,32)/t26-/m0/s1
InChIKeyUTNWDYIBESCTPV-SANMLTNESA-N
XLogP5.86
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(1H-benzimidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
CID 52949672
1-[(2S)-2-[5-(3-chlorophenyl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
CID 52942838
3-(4-phenylphenyl)-1-[(2S)-2-[5-(1-propylpyrazol-4-yl)-1H-imidazole-2-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 52942413
(2S)-1-[3-(4-ethylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136304
1-(2-hydroxypyrrolidin-1-yl)-4-(4-phenylphenyl)butan-1-one
CID 25198299
tert-butyl N-[(2S)-1-[(2S)-2-(1H-benzimidazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 52942396
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
(2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922373
(2R)-1-(3-phenylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 50831558
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94457866
1-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356105
1-[3-[6-[3-(2-carboxypyrrolidin-1-yl)-3-oxopropyl]-2-pyridinyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 22717151

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The IUPAC name of 1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one (CID 52946016) is 1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one is Cc1[nH]c(C(=O)[C@@H]2CCCN2C(=O)CCc2ccc(-c3ccccc3)cc2)nc1-c1ccccc1.
What is the InChIKey of 1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
The InChIKey is UTNWDYIBESCTPV-SANMLTNESA-N. The full InChI is InChI=1S/C30H29N3O2/c1-21-28(25-11-6-3-7-12-25)32-30(31-21)29(35)26-13-8-20-33(26)27(34)19-16-22-14-17-24(18-15-22)23-9-4-2-5-10-23/h2-7,9-12,14-15,17-18,26H,8,13,16,19-20H2,1H3,(H,31,32)/t26-/m0/s1.
What are the key properties of 1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one?
1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one has a molecular weight of 463.58 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(5-methyl-4-phenyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 52946016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).