1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea

C25H25N3O2 — CID 90535339

IUPAC1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
SMILESCn1cc(C(O)CNC(=O)NC(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H25N3O2/c1-28-17-21(20-14-8-9-15-22(20)28)23(29)16-26-25(30)27-24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,23-24,29H,16H2,1H3,(H2,26,27,30)
InChIKeyBVDJGOAJUQBCDG-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.30
Rot. Bonds6

About 1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea

1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea (PubChem CID 90535339) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
PubChem CID90535339
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
SMILESCn1cc(C(O)CNC(=O)NC(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H25N3O2/c1-28-17-21(20-14-8-9-15-22(20)28)23(29)16-26-25(30)27-24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,23-24,29H,16H2,1H3,(H2,26,27,30)
InChIKeyBVDJGOAJUQBCDG-UHFFFAOYSA-N
XLogP4.30
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea
CID 95367329
1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 71788722
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535325
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
CID 97414049
(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide
CID 97414006
1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 97416736
2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 71788673
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535246
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide
CID 90535046
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide
CID 90535044
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 90535235

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea?
The IUPAC name of 1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea (CID 90535339) is 1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea?
The canonical SMILES for 1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea is Cn1cc(C(O)CNC(=O)NC(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea?
The InChIKey is BVDJGOAJUQBCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-28-17-21(20-14-8-9-15-22(20)28)23(29)16-26-25(30)27-24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,23-24,29H,16H2,1H3,(H2,26,27,30).
What are the key properties of 1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea?
1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea has a molecular weight of 399.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea is sourced from PubChem (CID 90535339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).