1-(3,3-diphenylpropyl)-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea

C25H26N4O — CID 55909303

IUPAC1-(3,3-diphenylpropyl)-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
SMILESCc1ccn2cc(CNC(=O)NCCC(c3ccccc3)c3ccccc3)nc2c1
InChIInChI=1S/C25H26N4O/c1-19-13-15-29-18-22(28-24(29)16-19)17-27-25(30)26-14-12-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,13,15-16,18,23H,12,14,17H2,1H3,(H2,26,27,30)
InChIKeyYARRAFGUZITHNV-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.66
Rot. Bonds7

About 1-(3,3-diphenylpropyl)-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea

1-(3,3-diphenylpropyl)-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (PubChem CID 55909303) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
PubChem CID55909303
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name1-(3,3-diphenylpropyl)-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
SMILESCc1ccn2cc(CNC(=O)NCCC(c3ccccc3)c3ccccc3)nc2c1
InChIInChI=1S/C25H26N4O/c1-19-13-15-29-18-22(28-24(29)16-19)17-27-25(30)26-14-12-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,13,15-16,18,23H,12,14,17H2,1H3,(H2,26,27,30)
InChIKeyYARRAFGUZITHNV-UHFFFAOYSA-N
XLogP4.66
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (CID 55909303) is 1-(3,3-diphenylpropyl)-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is Cc1ccn2cc(CNC(=O)NCCC(c3ccccc3)c3ccccc3)nc2c1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The InChIKey is YARRAFGUZITHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-19-13-15-29-18-22(28-24(29)16-19)17-27-25(30)26-14-12-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,13,15-16,18,23H,12,14,17H2,1H3,(H2,26,27,30).
What are the key properties of 1-(3,3-diphenylpropyl)-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
1-(3,3-diphenylpropyl)-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea has a molecular weight of 398.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is sourced from PubChem (CID 55909303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).