1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea

C22H25N3O2 — CID 56527654

IUPAC1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
SMILESCC(C)Cn1ccc2cc(NC(=O)N[C@@H]3c4ccccc4C[C@@H]3O)ccc21
InChIInChI=1S/C22H25N3O2/c1-14(2)13-25-10-9-16-11-17(7-8-19(16)25)23-22(27)24-21-18-6-4-3-5-15(18)12-20(21)26/h3-11,14,20-21,26H,12-13H2,1-2H3,(H2,23,24,27)/t20-,21+/m0/s1
InChIKeyQPYMKBBMEDYAGW-LEWJYISDSA-N
MW363.46 g/mol
LogP4.08
Rot. Bonds4

About 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea

1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea (PubChem CID 56527654) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
PubChem CID56527654
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
SMILESCC(C)Cn1ccc2cc(NC(=O)N[C@@H]3c4ccccc4C[C@@H]3O)ccc21
InChIInChI=1S/C22H25N3O2/c1-14(2)13-25-10-9-16-11-17(7-8-19(16)25)23-22(27)24-21-18-6-4-3-5-15(18)12-20(21)26/h3-11,14,20-21,26H,12-13H2,1-2H3,(H2,23,24,27)/t20-,21+/m0/s1
InChIKeyQPYMKBBMEDYAGW-LEWJYISDSA-N
XLogP4.08
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[1-(2-methylpropyl)indol-5-yl]cyclopentane-1-carboxamide
CID 110014325
1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 99816453
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111475405
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea
CID 136532845
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 111976911
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56527629
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide
CID 111798539
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea
CID 99708845

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea?
The IUPAC name of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea (CID 56527654) is 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea.
What is the SMILES notation for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea?
The canonical SMILES for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea is CC(C)Cn1ccc2cc(NC(=O)N[C@@H]3c4ccccc4C[C@@H]3O)ccc21.
What is the InChIKey of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea?
The InChIKey is QPYMKBBMEDYAGW-LEWJYISDSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14(2)13-25-10-9-16-11-17(7-8-19(16)25)23-22(27)24-21-18-6-4-3-5-15(18)12-20(21)26/h3-11,14,20-21,26H,12-13H2,1-2H3,(H2,23,24,27)/t20-,21+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea?
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea has a molecular weight of 363.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea is sourced from PubChem (CID 56527654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).