[2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea

C19H18N4O2 — CID 14368360

IUPAC[2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea
SMILESC#CCc1c(C)nc2c(OCc3ccccc3NC(N)=O)cccn12
InChIInChI=1S/C19H18N4O2/c1-3-7-16-13(2)21-18-17(10-6-11-23(16)18)25-12-14-8-4-5-9-15(14)22-19(20)24/h1,4-6,8-11H,7,12H2,2H3,(H3,20,22,24)
InChIKeyFKRPAKKRMYNBMD-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.89
Rot. Bonds5

About [2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea

[2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea (PubChem CID 14368360) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea.

Molecular Properties

Compound Name[2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea
PubChem CID14368360
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea
SMILESC#CCc1c(C)nc2c(OCc3ccccc3NC(N)=O)cccn12
InChIInChI=1S/C19H18N4O2/c1-3-7-16-13(2)21-18-17(10-6-11-23(16)18)25-12-14-8-4-5-9-15(14)22-19(20)24/h1,4-6,8-11H,7,12H2,2H3,(H3,20,22,24)
InChIKeyFKRPAKKRMYNBMD-UHFFFAOYSA-N
XLogP2.89
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide
CID 14368363
8-[(2-methoxyphenyl)methoxy]-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridine
CID 21286353
4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide
CID 14368367
N-[4-methyl-3-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]acetamide
CID 14368356
2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine
CID 21286354
ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate
CID 14368366
2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82055736
2,3-dimethyl-8-[(2-methylphenyl)methoxy]imidazo[1,2-a]pyridine
CID 117061944
8-[(2-chlorophenyl)methoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115835
2-[2-methyl-8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82055750
8-[(2,3-dichlorophenyl)methoxy]-N-(1,3-dihydroxypropan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90115122
[8-[(2-methylphenyl)methoxy]-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 93203689

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea?
The IUPAC name of [2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea (CID 14368360) is [2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea.
What is the SMILES notation for [2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea?
The canonical SMILES for [2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea is C#CCc1c(C)nc2c(OCc3ccccc3NC(N)=O)cccn12.
What is the InChIKey of [2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea?
The InChIKey is FKRPAKKRMYNBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-3-7-16-13(2)21-18-17(10-6-11-23(16)18)25-12-14-8-4-5-9-15(14)22-19(20)24/h1,4-6,8-11H,7,12H2,2H3,(H3,20,22,24).
What are the key properties of [2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea?
[2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea has a molecular weight of 334.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea is sourced from PubChem (CID 14368360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).