(4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide

C20H20N4O2 — CID 97081227

IUPAC(4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)N1
InChIInChI=1S/C20H20N4O2/c25-19(18-12-23-20(26)24-18)22-10-15(13-6-2-1-3-7-13)16-11-21-17-9-5-4-8-14(16)17/h1-9,11,15,18,21H,10,12H2,(H,22,25)(H2,23,24,26)/t15-,18-/m0/s1
InChIKeyHFGQAFFPKWXYNH-YJBOKZPZSA-N
MW348.41 g/mol
LogP2.10
Rot. Bonds5

About (4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 97081227) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID97081227
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)N1
InChIInChI=1S/C20H20N4O2/c25-19(18-12-23-20(26)24-18)22-10-15(13-6-2-1-3-7-13)16-11-21-17-9-5-4-8-14(16)17/h1-9,11,15,18,21H,10,12H2,(H,22,25)(H2,23,24,26)/t15-,18-/m0/s1
InChIKeyHFGQAFFPKWXYNH-YJBOKZPZSA-N
XLogP2.10
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide
CID 167880363
(4S)-N-[(2R)-2-methoxy-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide
CID 97062692
(2R,4S)-4-hydroxy-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 124587680
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92815027
(3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide
CID 52508334
(3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 52511357
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51479387
(2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 98686003
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide (CID 97081227) is (4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)N1.
What is the InChIKey of (4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is HFGQAFFPKWXYNH-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(18-12-23-20(26)24-18)22-10-15(13-6-2-1-3-7-13)16-11-21-17-9-5-4-8-14(16)17/h1-9,11,15,18,21H,10,12H2,(H,22,25)(H2,23,24,26)/t15-,18-/m0/s1.
What are the key properties of (4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 97081227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).