1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea

C14H18N4O — CID 90570703

IUPAC1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)N(CC)Cc1cnc2ccccn12
InChIInChI=1S/C14H18N4O/c1-3-8-15-14(19)17(4-2)11-12-10-16-13-7-5-6-9-18(12)13/h3,5-7,9-10H,1,4,8,11H2,2H3,(H,15,19)
InChIKeySQLYERPWFZYUCW-UHFFFAOYSA-N
MW258.33 g/mol
LogP2.05
Rot. Bonds5

About 1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea

1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea (PubChem CID 90570703) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is 1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea
PubChem CID90570703
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC Name1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)N(CC)Cc1cnc2ccccn12
InChIInChI=1S/C14H18N4O/c1-3-8-15-14(19)17(4-2)11-12-10-16-13-7-5-6-9-18(12)13/h3,5-7,9-10H,1,4,8,11H2,2H3,(H,15,19)
InChIKeySQLYERPWFZYUCW-UHFFFAOYSA-N
XLogP2.05
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
CID 90570681
1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-[(4-methoxyphenyl)methyl]urea
CID 71802043
3-benzhydryl-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
CID 71802045
1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
CID 90570706
3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
CID 90570690
N,2-diethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)butanamide
CID 90570483
1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(3-methoxyphenyl)urea
CID 90570682
N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-9H-xanthene-9-carboxamide
CID 71802028
N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenoxypropanamide
CID 90570565
N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 90570672
(E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)prop-2-enamide
CID 71802026
N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 71802023

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea?
The IUPAC name of 1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea (CID 90570703) is 1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea?
The canonical SMILES for 1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea is C=CCNC(=O)N(CC)Cc1cnc2ccccn12.
What is the InChIKey of 1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea?
The InChIKey is SQLYERPWFZYUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-8-15-14(19)17(4-2)11-12-10-16-13-7-5-6-9-18(12)13/h3,5-7,9-10H,1,4,8,11H2,2H3,(H,15,19).
What are the key properties of 1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea?
1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea has a molecular weight of 258.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea is sourced from PubChem (CID 90570703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).