1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea

C22H25ClN4O2 — CID 56549716

IUPAC1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
SMILESO=C(NCc1ccc(Cl)cc1)Nc1ccc2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C22H25ClN4O2/c23-19-3-1-17(2-4-19)16-24-22(28)25-20-5-6-21-18(15-20)7-8-27(21)10-9-26-11-13-29-14-12-26/h1-8,15H,9-14,16H2,(H2,24,25,28)
InChIKeyBTYJUNBDCUVCNY-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.95
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea

1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea (PubChem CID 56549716) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
PubChem CID56549716
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
SMILESO=C(NCc1ccc(Cl)cc1)Nc1ccc2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C22H25ClN4O2/c23-19-3-1-17(2-4-19)16-24-22(28)25-20-5-6-21-18(15-20)7-8-27(21)10-9-26-11-13-29-14-12-26/h1-8,15H,9-14,16H2,(H2,24,25,28)
InChIKeyBTYJUNBDCUVCNY-UHFFFAOYSA-N
XLogP3.95
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 56557266
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CID 56556717
1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56557196
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 56556947
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea
CID 56557229
1-[2-(3-methoxyphenoxy)ethyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56556653
(2R)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]oxolane-2-carboxamide
CID 94391676
3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride
CID 120503366
2-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]pentanamide;dihydrochloride
CID 119864723
4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide
CID 56556621
N-[1-(2-morpholin-4-ylethyl)indol-5-yl]pyrrolidine-2-carboxamide
CID 119864704
N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 49498023

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea (CID 56549716) is 1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea is O=C(NCc1ccc(Cl)cc1)Nc1ccc2c(ccn2CCN2CCOCC2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
The InChIKey is BTYJUNBDCUVCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c23-19-3-1-17(2-4-19)16-24-22(28)25-20-5-6-21-18(15-20)7-8-27(21)10-9-26-11-13-29-14-12-26/h1-8,15H,9-14,16H2,(H2,24,25,28).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea?
1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea has a molecular weight of 412.92 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea is sourced from PubChem (CID 56549716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).