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

C22H27N5O — CID 50788040

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 Name1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea
PubChem CID50788040
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-[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
XLogP4.61
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea
CID 46331496
1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 46331537
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea
CID 46331527
1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 50788081
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 46331528
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 46360261
2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 82483690
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 46344109
4-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 46286561
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide
CID 46360260
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-methylacetamide
CID 18734143

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).