1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-phenylcyclohexyl)urea

C22H26N2O2 — CID 86882639

IUPAC1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-phenylcyclohexyl)urea
SMILESO=C(NC1CCC(c2ccccc2)CC1)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C22H26N2O2/c25-20-14-17-8-4-5-9-19(17)21(20)24-22(26)23-18-12-10-16(11-13-18)15-6-2-1-3-7-15/h1-9,16,18,20-21,25H,10-14H2,(H2,23,24,26)/t16?,18?,20-,21+/m1/s1
InChIKeyWGZMSKGMMXDWAL-KPZFLHEBSA-N
MW350.46 g/mol
LogP3.67
Rot. Bonds3

About 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-phenylcyclohexyl)urea

1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-phenylcyclohexyl)urea (PubChem CID 86882639) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-phenylcyclohexyl)urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-phenylcyclohexyl)urea
PubChem CID86882639
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-phenylcyclohexyl)urea
SMILESO=C(NC1CCC(c2ccccc2)CC1)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C22H26N2O2/c25-20-14-17-8-4-5-9-19(17)21(20)24-22(26)23-18-12-10-16(11-13-18)15-6-2-1-3-7-15/h1-9,16,18,20-21,25H,10-14H2,(H2,23,24,26)/t16?,18?,20-,21+/m1/s1
InChIKeyWGZMSKGMMXDWAL-KPZFLHEBSA-N
XLogP3.67
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylcyclopropyl)urea
CID 110906323
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 94172015
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
CID 75266020
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 110913063
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
CID 113267995
benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 15896226
1-(cyclopropylamino)-2,3-dihydro-1H-inden-2-ol
CID 77423862
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103863044
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 103860628

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-phenylcyclohexyl)urea?
The IUPAC name of 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-phenylcyclohexyl)urea (CID 86882639) is 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-phenylcyclohexyl)urea.
What is the SMILES notation for 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-phenylcyclohexyl)urea?
The canonical SMILES for 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-phenylcyclohexyl)urea is O=C(NC1CCC(c2ccccc2)CC1)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-phenylcyclohexyl)urea?
The InChIKey is WGZMSKGMMXDWAL-KPZFLHEBSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-20-14-17-8-4-5-9-19(17)21(20)24-22(26)23-18-12-10-16(11-13-18)15-6-2-1-3-7-15/h1-9,16,18,20-21,25H,10-14H2,(H2,23,24,26)/t16?,18?,20-,21+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-phenylcyclohexyl)urea?
1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-phenylcyclohexyl)urea has a molecular weight of 350.46 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-phenylcyclohexyl)urea is sourced from PubChem (CID 86882639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).