1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea

C15H21N3O2 — CID 111474667

IUPAC1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea
SMILESCc1cc2cc(NC(=O)NCC(C)CCO)ccc2[nH]1
InChIInChI=1S/C15H21N3O2/c1-10(5-6-19)9-16-15(20)18-13-3-4-14-12(8-13)7-11(2)17-14/h3-4,7-8,10,17,19H,5-6,9H2,1-2H3,(H2,16,18,20)
InChIKeyBXSVJJJFQYWRFT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.62
Rot. Bonds5

About 1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea

1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea (PubChem CID 111474667) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea
PubChem CID111474667
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea
SMILESCc1cc2cc(NC(=O)NCC(C)CCO)ccc2[nH]1
InChIInChI=1S/C15H21N3O2/c1-10(5-6-19)9-16-15(20)18-13-3-4-14-12(8-13)7-11(2)17-14/h3-4,7-8,10,17,19H,5-6,9H2,1-2H3,(H2,16,18,20)
InChIKeyBXSVJJJFQYWRFT-UHFFFAOYSA-N
XLogP2.62
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea
CID 136571788
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-1H-indol-5-yl)urea
CID 110896404
1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea
CID 97320276
1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473009
1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea
CID 111474973
1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea
CID 111472820
2-acetamido-3-methyl-N-(2-methyl-1H-indol-5-yl)butanamide
CID 86929104
1-(3-cyano-4-fluorophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111474619
1-(4-chloro-3-nitrophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473100
1-dibenzofuran-3-yl-3-(4-hydroxy-2-methylbutyl)urea
CID 111473777
1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473727
1-(4-hydroxy-2-methylbutyl)-3-(3-prop-2-ynoxyphenyl)urea
CID 111474745

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea?
The IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea (CID 111474667) is 1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea?
The canonical SMILES for 1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea is Cc1cc2cc(NC(=O)NCC(C)CCO)ccc2[nH]1.
What is the InChIKey of 1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea?
The InChIKey is BXSVJJJFQYWRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(5-6-19)9-16-15(20)18-13-3-4-14-12(8-13)7-11(2)17-14/h3-4,7-8,10,17,19H,5-6,9H2,1-2H3,(H2,16,18,20).
What are the key properties of 1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea?
1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea has a molecular weight of 275.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbutyl)-3-(2-methyl-1H-indol-5-yl)urea is sourced from PubChem (CID 111474667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).