1-(1-imidazol-1-ylpropan-2-yl)-3-(6-methoxy-3-pyridinyl)urea

C13H17N5O2 — CID 53499645

IUPAC1-(1-imidazol-1-ylpropan-2-yl)-3-(6-methoxy-3-pyridinyl)urea
SMILESCOc1ccc(NC(=O)NC(C)Cn2ccnc2)cn1
InChIInChI=1S/C13H17N5O2/c1-10(8-18-6-5-14-9-18)16-13(19)17-11-3-4-12(20-2)15-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,17,19)
InChIKeyTVUHQCWABXSUAK-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.50
Rot. Bonds5

About 1-(1-imidazol-1-ylpropan-2-yl)-3-(6-methoxy-3-pyridinyl)urea

1-(1-imidazol-1-ylpropan-2-yl)-3-(6-methoxy-3-pyridinyl)urea (PubChem CID 53499645) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(1-imidazol-1-ylpropan-2-yl)-3-(6-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(1-imidazol-1-ylpropan-2-yl)-3-(6-methoxy-3-pyridinyl)urea
PubChem CID53499645
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-(1-imidazol-1-ylpropan-2-yl)-3-(6-methoxy-3-pyridinyl)urea
SMILESCOc1ccc(NC(=O)NC(C)Cn2ccnc2)cn1
InChIInChI=1S/C13H17N5O2/c1-10(8-18-6-5-14-9-18)16-13(19)17-11-3-4-12(20-2)15-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,17,19)
InChIKeyTVUHQCWABXSUAK-UHFFFAOYSA-N
XLogP1.50
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-imidazol-1-ylpropan-2-yl)-3-(6-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-(1-imidazol-1-ylpropan-2-yl)-3-(6-methoxy-3-pyridinyl)urea (CID 53499645) is 1-(1-imidazol-1-ylpropan-2-yl)-3-(6-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-(1-imidazol-1-ylpropan-2-yl)-3-(6-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-(1-imidazol-1-ylpropan-2-yl)-3-(6-methoxy-3-pyridinyl)urea is COc1ccc(NC(=O)NC(C)Cn2ccnc2)cn1.
What is the InChIKey of 1-(1-imidazol-1-ylpropan-2-yl)-3-(6-methoxy-3-pyridinyl)urea?
The InChIKey is TVUHQCWABXSUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-10(8-18-6-5-14-9-18)16-13(19)17-11-3-4-12(20-2)15-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(1-imidazol-1-ylpropan-2-yl)-3-(6-methoxy-3-pyridinyl)urea?
1-(1-imidazol-1-ylpropan-2-yl)-3-(6-methoxy-3-pyridinyl)urea has a molecular weight of 275.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-imidazol-1-ylpropan-2-yl)-3-(6-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 53499645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).