1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea

C21H27N5O — CID 46344112

IUPAC1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea
SMILESCc1ccc(NC(=O)NC(c2nc3cccnc3n2C(C)C)C(C)C)cc1
InChIInChI=1S/C21H27N5O/c1-13(2)18(25-21(27)23-16-10-8-15(5)9-11-16)20-24-17-7-6-12-22-19(17)26(20)14(3)4/h6-14,18H,1-5H3,(H2,23,25,27)
InChIKeyDOUYXGWKLXOUSH-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.84
Rot. Bonds5

About 1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea

1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea (PubChem CID 46344112) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea
PubChem CID46344112
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea
SMILESCc1ccc(NC(=O)NC(c2nc3cccnc3n2C(C)C)C(C)C)cc1
InChIInChI=1S/C21H27N5O/c1-13(2)18(25-21(27)23-16-10-8-15(5)9-11-16)20-24-17-7-6-12-22-19(17)26(20)14(3)4/h6-14,18H,1-5H3,(H2,23,25,27)
InChIKeyDOUYXGWKLXOUSH-UHFFFAOYSA-N
XLogP4.84
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea (CID 46344112) is 1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea is Cc1ccc(NC(=O)NC(c2nc3cccnc3n2C(C)C)C(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea?
The InChIKey is DOUYXGWKLXOUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-13(2)18(25-21(27)23-16-10-8-15(5)9-11-16)20-24-17-7-6-12-22-19(17)26(20)14(3)4/h6-14,18H,1-5H3,(H2,23,25,27).
What are the key properties of 1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea?
1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea has a molecular weight of 365.48 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[2-methyl-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)propyl]urea is sourced from PubChem (CID 46344112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).