1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea

C17H24N2O — CID 47132834

IUPAC1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea
SMILESO=C(Nc1ccc2c(c1)CCC2)NC1CCCCCC1
InChIInChI=1S/C17H24N2O/c20-17(18-15-8-3-1-2-4-9-15)19-16-11-10-13-6-5-7-14(13)12-16/h10-12,15H,1-9H2,(H2,18,19,20)
InChIKeyHMNPQDMIRFLRRL-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.02
Rot. Bonds2

About 1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea

1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea (PubChem CID 47132834) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea
PubChem CID47132834
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea
SMILESO=C(Nc1ccc2c(c1)CCC2)NC1CCCCCC1
InChIInChI=1S/C17H24N2O/c20-17(18-15-8-3-1-2-4-9-15)19-16-11-10-13-6-5-7-14(13)12-16/h10-12,15H,1-9H2,(H2,18,19,20)
InChIKeyHMNPQDMIRFLRRL-UHFFFAOYSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 3271031
1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea
CID 166229686
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea
CID 17249572
3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030616
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2S)-2-methylcyclohexyl]urea
CID 29056445
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 29056444
1-cyclopentyl-3-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 110748659
(3S,5R)-3-N-cyclohexyl-5-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3,5-dicarboxamide
CID 56859378
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 166231963
1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64780517
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea?
The IUPAC name of 1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea (CID 47132834) is 1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea?
The canonical SMILES for 1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea is O=C(Nc1ccc2c(c1)CCC2)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea?
The InChIKey is HMNPQDMIRFLRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(18-15-8-3-1-2-4-9-15)19-16-11-10-13-6-5-7-14(13)12-16/h10-12,15H,1-9H2,(H2,18,19,20).
What are the key properties of 1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea?
1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea has a molecular weight of 272.39 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea is sourced from PubChem (CID 47132834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).