1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea

C18H24ClN3O2 — CID 119063925

IUPAC1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESCc1[nH]c2ccc(Cl)cc2c1CCNC(=O)NC1(CO)CCCC1
InChIInChI=1S/C18H24ClN3O2/c1-12-14(15-10-13(19)4-5-16(15)21-12)6-9-20-17(24)22-18(11-23)7-2-3-8-18/h4-5,10,21,23H,2-3,6-9,11H2,1H3,(H2,20,22,24)
InChIKeyAKAURJNQKDQLGI-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.28
Rot. Bonds5

About 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea

1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea (PubChem CID 119063925) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
PubChem CID119063925
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESCc1[nH]c2ccc(Cl)cc2c1CCNC(=O)NC1(CO)CCCC1
InChIInChI=1S/C18H24ClN3O2/c1-12-14(15-10-13(19)4-5-16(15)21-12)6-9-20-17(24)22-18(11-23)7-2-3-8-18/h4-5,10,21,23H,2-3,6-9,11H2,1H3,(H2,20,22,24)
InChIKeyAKAURJNQKDQLGI-UHFFFAOYSA-N
XLogP3.28
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea?
The IUPAC name of 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea (CID 119063925) is 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea.
What is the SMILES notation for 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea?
The canonical SMILES for 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea is Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)NC1(CO)CCCC1.
What is the InChIKey of 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea?
The InChIKey is AKAURJNQKDQLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-12-14(15-10-13(19)4-5-16(15)21-12)6-9-20-17(24)22-18(11-23)7-2-3-8-18/h4-5,10,21,23H,2-3,6-9,11H2,1H3,(H2,20,22,24).
What are the key properties of 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea?
1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea has a molecular weight of 349.86 g/mol, XLogP of 3.28, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea is sourced from PubChem (CID 119063925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).