1-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-hydroxyphenyl]-3-propan-2-ylurea

C21H26N4O2 — CID 15684661

IUPAC1-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-hydroxyphenyl]-3-propan-2-ylurea
SMILESCc1ccn2c(C)c(CCc3ccc(NC(=O)NC(C)C)c(O)c3)nc2c1
InChIInChI=1S/C21H26N4O2/c1-13(2)22-21(27)24-18-8-6-16(12-19(18)26)5-7-17-15(4)25-10-9-14(3)11-20(25)23-17/h6,8-13,26H,5,7H2,1-4H3,(H2,22,24,27)
InChIKeyQTCRPTXEYLENMQ-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.97
Rot. Bonds5

About 1-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-hydroxyphenyl]-3-propan-2-ylurea

1-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-hydroxyphenyl]-3-propan-2-ylurea (PubChem CID 15684661) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-hydroxyphenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-hydroxyphenyl]-3-propan-2-ylurea
PubChem CID15684661
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-hydroxyphenyl]-3-propan-2-ylurea
SMILESCc1ccn2c(C)c(CCc3ccc(NC(=O)NC(C)C)c(O)c3)nc2c1
InChIInChI=1S/C21H26N4O2/c1-13(2)22-21(27)24-18-8-6-16(12-19(18)26)5-7-17-15(4)25-10-9-14(3)11-20(25)23-17/h6,8-13,26H,5,7H2,1-4H3,(H2,22,24,27)
InChIKeyQTCRPTXEYLENMQ-UHFFFAOYSA-N
XLogP3.97
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 15171514
1-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)propan-2-one
CID 84670710
2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681014
1-[7-methyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82223155
N-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 67730497
N-(2-hydroxy-4-methylphenyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 17395323
N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide
CID 2203693
N-[6-[2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzoxazol-2-yl]acetamide
CID 15684593
2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 7259216
1-(2-bromo-5-methylphenyl)-3-propan-2-ylurea
CID 82706454
1-(2-amino-5-methylphenyl)-3-propan-2-ylurea
CID 112557564
2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82225523

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-hydroxyphenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-hydroxyphenyl]-3-propan-2-ylurea (CID 15684661) is 1-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-hydroxyphenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-hydroxyphenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-hydroxyphenyl]-3-propan-2-ylurea is Cc1ccn2c(C)c(CCc3ccc(NC(=O)NC(C)C)c(O)c3)nc2c1.
What is the InChIKey of 1-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-hydroxyphenyl]-3-propan-2-ylurea?
The InChIKey is QTCRPTXEYLENMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13(2)22-21(27)24-18-8-6-16(12-19(18)26)5-7-17-15(4)25-10-9-14(3)11-20(25)23-17/h6,8-13,26H,5,7H2,1-4H3,(H2,22,24,27).
What are the key properties of 1-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-hydroxyphenyl]-3-propan-2-ylurea?
1-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-hydroxyphenyl]-3-propan-2-ylurea has a molecular weight of 366.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-hydroxyphenyl]-3-propan-2-ylurea is sourced from PubChem (CID 15684661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).