1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea

C18H20N4O2 — CID 75422075

IUPAC1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea
SMILESCc1cn2cc(NC(=O)N[C@H](CCO)c3ccccc3)ccc2n1
InChIInChI=1S/C18H20N4O2/c1-13-11-22-12-15(7-8-17(22)19-13)20-18(24)21-16(9-10-23)14-5-3-2-4-6-14/h2-8,11-12,16,23H,9-10H2,1H3,(H2,20,21,24)/t16-/m1/s1
InChIKeyWNBTZMZHXYNRAD-MRXNPFEDSA-N
MW324.38 g/mol
LogP2.89
Rot. Bonds5

About 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea (PubChem CID 75422075) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea
PubChem CID75422075
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea
SMILESCc1cn2cc(NC(=O)N[C@H](CCO)c3ccccc3)ccc2n1
InChIInChI=1S/C18H20N4O2/c1-13-11-22-12-15(7-8-17(22)19-13)20-18(24)21-16(9-10-23)14-5-3-2-4-6-14/h2-8,11-12,16,23H,9-10H2,1H3,(H2,20,21,24)/t16-/m1/s1
InChIKeyWNBTZMZHXYNRAD-MRXNPFEDSA-N
XLogP2.89
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111453275
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
1-[1-(1H-indol-5-yl)-2-methoxyethyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea
CID 166364308
1-(4-hydroxy-1-phenylbutyl)-3-(3-methyl-1,2-benzoxazol-6-yl)urea
CID 127267207
1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452513
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea
CID 111450280
2-(2-fluorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)acetamide
CID 110734846
2-(2-chlorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)acetamide
CID 110734848
N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 86807653
1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452600

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea?
The IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea (CID 75422075) is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea?
The canonical SMILES for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea is Cc1cn2cc(NC(=O)N[C@H](CCO)c3ccccc3)ccc2n1.
What is the InChIKey of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea?
The InChIKey is WNBTZMZHXYNRAD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-11-22-12-15(7-8-17(22)19-13)20-18(24)21-16(9-10-23)14-5-3-2-4-6-14/h2-8,11-12,16,23H,9-10H2,1H3,(H2,20,21,24)/t16-/m1/s1.
What are the key properties of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea?
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea has a molecular weight of 324.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea is sourced from PubChem (CID 75422075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).