1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one

C24H24N4O — CID 1067666

IUPAC1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
SMILESCc1nn(-c2nc3ccccc3n2Cc2ccccc2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H24N4O/c1-16-22-20(13-24(2,3)14-21(22)29)28(26-16)23-25-18-11-7-8-12-19(18)27(23)15-17-9-5-4-6-10-17/h4-12H,13-15H2,1-3H3
InChIKeyVGYHECUZUJAEFW-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.73
Rot. Bonds3

About 1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one

1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one (PubChem CID 1067666) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
PubChem CID1067666
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
SMILESCc1nn(-c2nc3ccccc3n2Cc2ccccc2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H24N4O/c1-16-22-20(13-24(2,3)14-21(22)29)28(26-16)23-25-18-11-7-8-12-19(18)27(23)15-17-9-5-4-6-10-17/h4-12H,13-15H2,1-3H3
InChIKeyVGYHECUZUJAEFW-UHFFFAOYSA-N
XLogP4.73
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
The IUPAC name of 1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one (CID 1067666) is 1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
The canonical SMILES for 1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one is Cc1nn(-c2nc3ccccc3n2Cc2ccccc2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
The InChIKey is VGYHECUZUJAEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-22-20(13-24(2,3)14-21(22)29)28(26-16)23-25-18-11-7-8-12-19(18)27(23)15-17-9-5-4-6-10-17/h4-12H,13-15H2,1-3H3.
What are the key properties of 1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one has a molecular weight of 384.48 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylbenzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 1067666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).