[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea

C23H21N3O — CID 118908898

IUPAC[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea
SMILESNC(=O)NCC(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H21N3O/c24-23(27)25-15-19(16-9-3-1-4-10-16)21-18-13-7-8-14-20(18)26-22(21)17-11-5-2-6-12-17/h1-14,19,26H,15H2,(H3,24,25,27)
InChIKeyBEAWWKLDUTZWOD-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.64
Rot. Bonds5

About [2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea

[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea (PubChem CID 118908898) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is [2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea
PubChem CID118908898
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea
SMILESNC(=O)NCC(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H21N3O/c24-23(27)25-15-19(16-9-3-1-4-10-16)21-18-13-7-8-14-20(18)26-22(21)17-11-5-2-6-12-17/h1-14,19,26H,15H2,(H3,24,25,27)
InChIKeyBEAWWKLDUTZWOD-UHFFFAOYSA-N
XLogP4.64
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-amino-2-oxoethyl)sulfanyl-N-[(2S)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]propanamide
CID 51934315
(2S)-N-cyclopropyl-2-[[(2S)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]amino]propanamide
CID 8645210
5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 166335392
1-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)thiourea
CID 3576078
methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate
CID 146165176
N-[phenyl-(2-phenyl-1H-indol-3-yl)methyl]benzenesulfonamide
CID 118908821
2-(4-fluorophenyl)-3-(2-nitro-1-phenylethyl)-1H-indole
CID 71623048
3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole
CID 7095446
(1S)-1-(2-phenyl-1H-indol-3-yl)propan-1-ol
CID 82758235
1,1,1-trifluoro-3-phenyl-3-(2-phenyl-1H-indol-3-yl)propan-2-ol
CID 155547914
2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 4079247
3-bromo-1-(2-phenyl-1H-indol-3-yl)propane-1,2-diol
CID 171861369

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of [2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea (CID 118908898) is [2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for [2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for [2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea is NC(=O)NCC(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of [2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is BEAWWKLDUTZWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c24-23(27)25-15-19(16-9-3-1-4-10-16)21-18-13-7-8-14-20(18)26-22(21)17-11-5-2-6-12-17/h1-14,19,26H,15H2,(H3,24,25,27).
What are the key properties of [2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea?
[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 355.44 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 118908898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).