1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea

C18H23N7O — CID 146087815

IUPAC1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)NCc2cnn(C)n2)c1
InChIInChI=1S/C18H23N7O/c1-13(2)17-19-7-8-25(17)12-14-5-4-6-15(9-14)22-18(26)20-10-16-11-21-24(3)23-16/h4-9,11,13H,10,12H2,1-3H3,(H2,20,22,26)
InChIKeyRNVLJENMKBRDLW-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.51
Rot. Bonds6

About 1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea

1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea (PubChem CID 146087815) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea
PubChem CID146087815
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)NCc2cnn(C)n2)c1
InChIInChI=1S/C18H23N7O/c1-13(2)17-19-7-8-25(17)12-14-5-4-6-15(9-14)22-18(26)20-10-16-11-21-24(3)23-16/h4-9,11,13H,10,12H2,1-3H3,(H2,20,22,26)
InChIKeyRNVLJENMKBRDLW-UHFFFAOYSA-N
XLogP2.51
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55808706
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CID 146083340
1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea
CID 87007209
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CID 119855817
2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 120703872
1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea
CID 71908781
2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 111430663
(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide
CID 119855852
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 55858949
3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
CID 55858307
(3R)-3-hydroxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 111431403
1-[(1R)-1-phenylbut-3-ynyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea
CID 97245249

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea (CID 146087815) is 1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea is CC(C)c1nccn1Cc1cccc(NC(=O)NCc2cnn(C)n2)c1.
What is the InChIKey of 1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea?
The InChIKey is RNVLJENMKBRDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-13(2)17-19-7-8-25(17)12-14-5-4-6-15(9-14)22-18(26)20-10-16-11-21-24(3)23-16/h4-9,11,13H,10,12H2,1-3H3,(H2,20,22,26).
What are the key properties of 1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea?
1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea has a molecular weight of 353.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltriazol-4-yl)methyl]-3-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 146087815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).