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

C20H25N5O — CID 53021869

IUPAC1-butan-2-yl-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
SMILESCCC(C)NC(=O)NCCn1c(-c2ccc(C)cc2)nc2cccnc21
InChIInChI=1S/C20H25N5O/c1-4-15(3)23-20(26)22-12-13-25-18(16-9-7-14(2)8-10-16)24-17-6-5-11-21-19(17)25/h5-11,15H,4,12-13H2,1-3H3,(H2,22,23,26)
InChIKeySEYNJOXWKHBQCN-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.50
Rot. Bonds6

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

1-butan-2-yl-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea (PubChem CID 53021869) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-butan-2-yl-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
PubChem CID53021869
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-butan-2-yl-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
SMILESCCC(C)NC(=O)NCCn1c(-c2ccc(C)cc2)nc2cccnc21
InChIInChI=1S/C20H25N5O/c1-4-15(3)23-20(26)22-12-13-25-18(16-9-7-14(2)8-10-16)24-17-6-5-11-21-19(17)25/h5-11,15H,4,12-13H2,1-3H3,(H2,22,23,26)
InChIKeySEYNJOXWKHBQCN-UHFFFAOYSA-N
XLogP3.50
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
CID 46331623
1-[(2S)-butan-2-yl]-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 92865598
1-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-[(4-methylphenyl)methyl]urea
CID 53019858
1-(2-chlorophenyl)-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53021844
1-butan-2-yl-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea
CID 46331591
N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide
CID 46286417
N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide
CID 46286381
N-(3-methylbutyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389486
1-(3,4-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53021811
1-(2-chlorophenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021890
1-(2-methoxyphenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021888
1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021931

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea?
The IUPAC name of 1-butan-2-yl-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea (CID 53021869) is 1-butan-2-yl-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea?
The canonical SMILES for 1-butan-2-yl-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea is CCC(C)NC(=O)NCCn1c(-c2ccc(C)cc2)nc2cccnc21.
What is the InChIKey of 1-butan-2-yl-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea?
The InChIKey is SEYNJOXWKHBQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-4-15(3)23-20(26)22-12-13-25-18(16-9-7-14(2)8-10-16)24-17-6-5-11-21-19(17)25/h5-11,15H,4,12-13H2,1-3H3,(H2,22,23,26).
What are the key properties of 1-butan-2-yl-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea?
1-butan-2-yl-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea has a molecular weight of 351.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea is sourced from PubChem (CID 53021869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).