4,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole

C15H22N4 — CID 82949000

IUPAC4,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCc1nn(C)c(C)c1-c1nc2c([nH]1)CC(C)CC2C
InChIInChI=1S/C15H22N4/c1-8-6-9(2)14-12(7-8)16-15(17-14)13-10(3)18-19(5)11(13)4/h8-9H,6-7H2,1-5H3,(H,16,17)
InChIKeyUDWKTCCHXMXHOA-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.11
Rot. Bonds1

About 4,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole

4,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 82949000) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID82949000
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCc1nn(C)c(C)c1-c1nc2c([nH]1)CC(C)CC2C
InChIInChI=1S/C15H22N4/c1-8-6-9(2)14-12(7-8)16-15(17-14)13-10(3)18-19(5)11(13)4/h8-9H,6-7H2,1-5H3,(H,16,17)
InChIKeyUDWKTCCHXMXHOA-UHFFFAOYSA-N
XLogP3.11
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 4,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole (CID 82949000) is 4,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 4,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 4,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole is Cc1nn(C)c(C)c1-c1nc2c([nH]1)CC(C)CC2C.
What is the InChIKey of 4,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is UDWKTCCHXMXHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-8-6-9(2)14-12(7-8)16-15(17-14)13-10(3)18-19(5)11(13)4/h8-9H,6-7H2,1-5H3,(H,16,17).
What are the key properties of 4,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
4,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 258.37 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 82949000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).