6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole

C22H26N4 — CID 172558626

IUPAC6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole
SMILESCc1c(-c2ccc3nc[nH]c3c2)cnn1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H26N4/c1-14-19(18-2-3-20-21(7-18)24-13-23-20)11-25-26(14)12-22-8-15-4-16(9-22)6-17(5-15)10-22/h2-3,7,11,13,15-17H,4-6,8-10,12H2,1H3,(H,23,24)
InChIKeyHFOGNXMIMOKDBN-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.95
Rot. Bonds3

About 6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole

6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole (PubChem CID 172558626) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole
PubChem CID172558626
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole
SMILESCc1c(-c2ccc3nc[nH]c3c2)cnn1CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H26N4/c1-14-19(18-2-3-20-21(7-18)24-13-23-20)11-25-26(14)12-22-8-15-4-16(9-22)6-17(5-15)10-22/h2-3,7,11,13,15-17H,4-6,8-10,12H2,1H3,(H,23,24)
InChIKeyHFOGNXMIMOKDBN-UHFFFAOYSA-N
XLogP4.95
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole?
The IUPAC name of 6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole (CID 172558626) is 6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole is Cc1c(-c2ccc3nc[nH]c3c2)cnn1CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole?
The InChIKey is HFOGNXMIMOKDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-14-19(18-2-3-20-21(7-18)24-13-23-20)11-25-26(14)12-22-8-15-4-16(9-22)6-17(5-15)10-22/h2-3,7,11,13,15-17H,4-6,8-10,12H2,1H3,(H,23,24).
What are the key properties of 6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole?
6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole has a molecular weight of 346.48 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-1H-benzimidazole is sourced from PubChem (CID 172558626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).