1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea

Name: 1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₂₇N₅O — CID 50788040

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea

SMILESCc1ccccc1NC(=O)NCCc1nc2cccnc2n1C1CCCCC1

InChIInChI=1S/C22H27N5O/c1-16-8-5-6-11-18(16)26-22(28)24-15-13-20-25-19-12-7-14-23-21(19)27(20)17-9-3-2-4-10-17/h5-8,11-12,14,17H,2-4,9-10,13,15H2,1H3,(H2,24,26,28)

InChIKeyDFBFNPLOIUSYIC-UHFFFAOYSA-N

MW377.49 g/mol

LogP4.61

Rot. Bonds5

About 1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea

1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea (PubChem CID 50788040) has the molecular formula C₂₂H₂₇N₅O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name	1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea
PubChem CID	50788040
Molecular Formula	C₂₂H₂₇N₅O
Molecular Weight	377.49 g/mol
Exact Mass	377.22
IUPAC Name	1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea
SMILES	Cc1ccccc1NC(=O)NCCc1nc2cccnc2n1C1CCCCC1
InChI	InChI=1S/C22H27N5O/c1-16-8-5-6-11-18(16)26-22(28)24-15-13-20-25-19-12-7-14-23-21(19)27(20)17-9-3-2-4-10-17/h5-8,11-12,14,17H,2-4,9-10,13,15H2,1H3,(H2,24,26,28)
InChIKey	DFBFNPLOIUSYIC-UHFFFAOYSA-N
XLogP	4.61
TPSA	71.84 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea?

The IUPAC name of 1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea (CID 50788040) is 1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea.

What is the SMILES notation for 1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea?

The canonical SMILES for 1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NCCc1nc2cccnc2n1C1CCCCC1.

What is the InChIKey of 1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea?

The InChIKey is DFBFNPLOIUSYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-8-5-6-11-18(16)26-22(28)24-15-13-20-25-19-12-7-14-23-21(19)27(20)17-9-3-2-4-10-17/h5-8,11-12,14,17H,2-4,9-10,13,15H2,1H3,(H2,24,26,28).

What are the key properties of 1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea?

1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea has a molecular weight of 377.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 50788040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 50788040 — identifiers, structure, computed properties (public domain)

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