1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea

C16H20N6O — CID 118761819

IUPAC1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea
SMILESCc1nccn1CCN(C)C(=O)Nc1ccc2c(cnn2C)c1
InChIInChI=1S/C16H20N6O/c1-12-17-6-7-22(12)9-8-20(2)16(23)19-14-4-5-15-13(10-14)11-18-21(15)3/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)
InChIKeyUDENMONXVAILPE-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.24
Rot. Bonds4

About 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea

1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea (PubChem CID 118761819) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea.

Molecular Properties

Compound Name1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea
PubChem CID118761819
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea
SMILESCc1nccn1CCN(C)C(=O)Nc1ccc2c(cnn2C)c1
InChIInChI=1S/C16H20N6O/c1-12-17-6-7-22(12)9-8-20(2)16(23)19-14-4-5-15-13(10-14)11-18-21(15)3/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)
InChIKeyUDENMONXVAILPE-UHFFFAOYSA-N
XLogP2.24
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea?
The IUPAC name of 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea (CID 118761819) is 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea.
What is the SMILES notation for 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea?
The canonical SMILES for 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea is Cc1nccn1CCN(C)C(=O)Nc1ccc2c(cnn2C)c1.
What is the InChIKey of 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea?
The InChIKey is UDENMONXVAILPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-12-17-6-7-22(12)9-8-20(2)16(23)19-14-4-5-15-13(10-14)11-18-21(15)3/h4-7,10-11H,8-9H2,1-3H3,(H,19,23).
What are the key properties of 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea?
1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea has a molecular weight of 312.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylindazol-5-yl)urea is sourced from PubChem (CID 118761819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).