1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea

C22H23FN4O — CID 86880994

IUPAC1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1ccc2c(CCNC(=O)NCCc3c[nH]c4cc(F)ccc34)c[nH]c2c1
InChIInChI=1S/C22H23FN4O/c1-14-2-4-18-15(12-26-20(18)10-14)6-8-24-22(28)25-9-7-16-13-27-21-11-17(23)3-5-19(16)21/h2-5,10-13,26-27H,6-9H2,1H3,(H2,24,25,28)
InChIKeyFOMMMLUAUWNPPK-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.18
Rot. Bonds6

About 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea

1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 86880994) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID86880994
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1ccc2c(CCNC(=O)NCCc3c[nH]c4cc(F)ccc34)c[nH]c2c1
InChIInChI=1S/C22H23FN4O/c1-14-2-4-18-15(12-26-20(18)10-14)6-8-24-22(28)25-9-7-16-13-27-21-11-17(23)3-5-19(16)21/h2-5,10-13,26-27H,6-9H2,1H3,(H2,24,25,28)
InChIKeyFOMMMLUAUWNPPK-UHFFFAOYSA-N
XLogP4.18
TPSA72.71 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Analyze 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea with MolForge

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 111505645
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86875671
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide
CID 119706151
1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86875661
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119280013
1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea
CID 86875692
N-[2-[[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111887695
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880071
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea (CID 86880994) is 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea is Cc1ccc2c(CCNC(=O)NCCc3c[nH]c4cc(F)ccc34)c[nH]c2c1.
What is the InChIKey of 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is FOMMMLUAUWNPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-14-2-4-18-15(12-26-20(18)10-14)6-8-24-22(28)25-9-7-16-13-27-21-11-17(23)3-5-19(16)21/h2-5,10-13,26-27H,6-9H2,1H3,(H2,24,25,28).
What are the key properties of 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 378.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 86880994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).