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1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea

C19H25N7O — CID 118785617

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
SMILESCCCC(NC(=O)Nc1cccc(-c2nncn2C)c1C)c1nccn1C
InChIInChI=1S/C19H25N7O/c1-5-7-16(18-20-10-11-25(18)3)23-19(27)22-15-9-6-8-14(13(15)2)17-24-21-12-26(17)4/h6,8-12,16H,5,7H2,1-4H3,(H2,22,23,27)
InChIKeyWXUVMWCGIACRFK-UHFFFAOYSA-N
MW367.46 g/mol
LogP3.19
Rot. Bonds6

About 1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea

1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea (PubChem CID 118785617) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
PubChem CID118785617
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
SMILESCCCC(NC(=O)Nc1cccc(-c2nncn2C)c1C)c1nccn1C
InChIInChI=1S/C19H25N7O/c1-5-7-16(18-20-10-11-25(18)3)23-19(27)22-15-9-6-8-14(13(15)2)17-24-21-12-26(17)4/h6,8-12,16H,5,7H2,1-4H3,(H2,22,23,27)
InChIKeyWXUVMWCGIACRFK-UHFFFAOYSA-N
XLogP3.19
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?
The IUPAC name of 1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea (CID 118785617) is 1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea is CCCC(NC(=O)Nc1cccc(-c2nncn2C)c1C)c1nccn1C.
What is the InChIKey of 1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?
The InChIKey is WXUVMWCGIACRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-5-7-16(18-20-10-11-25(18)3)23-19(27)22-15-9-6-8-14(13(15)2)17-24-21-12-26(17)4/h6,8-12,16H,5,7H2,1-4H3,(H2,22,23,27).
What are the key properties of 1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?
1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea has a molecular weight of 367.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea is sourced from PubChem (CID 118785617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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