1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea

C18H25N5O2 — CID 138042257

IUPAC1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea
SMILESCC(C)C1CC(NC(=O)NCc2ccc(-n3ccnc3)nc2)CCO1
InChIInChI=1S/C18H25N5O2/c1-13(2)16-9-15(5-8-25-16)22-18(24)21-11-14-3-4-17(20-10-14)23-7-6-19-12-23/h3-4,6-7,10,12-13,15-16H,5,8-9,11H2,1-2H3,(H2,21,22,24)
InChIKeyNWYSLDCONPOTDH-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.27
Rot. Bonds5

About 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea

1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea (PubChem CID 138042257) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea.

Molecular Properties

Compound Name1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea
PubChem CID138042257
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea
SMILESCC(C)C1CC(NC(=O)NCc2ccc(-n3ccnc3)nc2)CCO1
InChIInChI=1S/C18H25N5O2/c1-13(2)16-9-15(5-8-25-16)22-18(24)21-11-14-3-4-17(20-10-14)23-7-6-19-12-23/h3-4,6-7,10,12-13,15-16H,5,8-9,11H2,1-2H3,(H2,21,22,24)
InChIKeyNWYSLDCONPOTDH-UHFFFAOYSA-N
XLogP2.27
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea with MolForge

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Related Compounds

1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 136580013
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide
CID 136519835
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
1-(1-adamantylmethyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 36968166
1-heptan-2-yl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 43062127
1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 110894423
2-cyclopentyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 134040291
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyl-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111527945
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 51080164
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(3-phenylpropyl)urea
CID 36509052
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136686

Frequently Asked Questions

What is the IUPAC name of 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea?
The IUPAC name of 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea (CID 138042257) is 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea.
What is the SMILES notation for 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea?
The canonical SMILES for 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea is CC(C)C1CC(NC(=O)NCc2ccc(-n3ccnc3)nc2)CCO1.
What is the InChIKey of 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea?
The InChIKey is NWYSLDCONPOTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(2)16-9-15(5-8-25-16)22-18(24)21-11-14-3-4-17(20-10-14)23-7-6-19-12-23/h3-4,6-7,10,12-13,15-16H,5,8-9,11H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea?
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea has a molecular weight of 343.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea is sourced from PubChem (CID 138042257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).