1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium

C22H43BrN2OY — CID 159602755

IUPAC1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium
SMILESC.C.C.CC(C)NC(=O)NC1CCCCC1.CC(C)c1cccc(Br)c1.[Y]
InChIInChI=1S/C10H20N2O.C9H11Br.3CH4.Y/c1-8(2)11-10(13)12-9-6-4-3-5-7-9;1-7(2)8-4-3-5-9(10)6-8;;;;/h8-9H,3-7H2,1-2H3,(H2,11,12,13);3-7H,1-2H3;3*1H4;
InChIKeyMLRPZTVRUJEKIT-UHFFFAOYSA-N
MW520.41 g/mol
LogP7.51
Rot. Bonds3

About 1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium

1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium (PubChem CID 159602755) has the molecular formula C22H43BrN2OY and a molecular weight of 520.41 g/mol. Its IUPAC name is 1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium.

Molecular Properties

Compound Name1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium
PubChem CID159602755
Molecular FormulaC22H43BrN2OY
Molecular Weight520.41 g/mol
Exact Mass519.16
IUPAC Name1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium
SMILESC.C.C.CC(C)NC(=O)NC1CCCCC1.CC(C)c1cccc(Br)c1.[Y]
InChIInChI=1S/C10H20N2O.C9H11Br.3CH4.Y/c1-8(2)11-10(13)12-9-6-4-3-5-7-9;1-7(2)8-4-3-5-9(10)6-8;;;;/h8-9H,3-7H2,1-2H3,(H2,11,12,13);3-7H,1-2H3;3*1H4;
InChIKeyMLRPZTVRUJEKIT-UHFFFAOYSA-N
XLogP7.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.41
LogP ≤ 57.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylurea;yttrium
CID 159801883
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580
2-(3-bromophenyl)-N-cyclopropylpropanamide
CID 176514290
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea
CID 172583793
2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide
CID 61401079
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide
CID 32704367
1-[(3-bromobenzoyl)amino]-3-cyclohexylurea
CID 3693189
1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 40541623
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium?
The IUPAC name of 1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium (CID 159602755) is 1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium.
What is the SMILES notation for 1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium?
The canonical SMILES for 1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium is C.C.C.CC(C)NC(=O)NC1CCCCC1.CC(C)c1cccc(Br)c1.[Y].
What is the InChIKey of 1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium?
The InChIKey is MLRPZTVRUJEKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C9H11Br.3CH4.Y/c1-8(2)11-10(13)12-9-6-4-3-5-7-9;1-7(2)8-4-3-5-9(10)6-8;;;;/h8-9H,3-7H2,1-2H3,(H2,11,12,13);3-7H,1-2H3;3*1H4;.
What are the key properties of 1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium?
1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium has a molecular weight of 520.41 g/mol, XLogP of 7.51, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylurea;methane;yttrium is sourced from PubChem (CID 159602755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).