4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole

C20H23N3 — CID 143311779

IUPAC4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole
SMILESCc1ccccc1-c1nc2c(C)cc(C3CCNCC3)cc2[nH]1
InChIInChI=1S/C20H23N3/c1-13-5-3-4-6-17(13)20-22-18-12-16(11-14(2)19(18)23-20)15-7-9-21-10-8-15/h3-6,11-12,15,21H,7-10H2,1-2H3,(H,22,23)
InChIKeyITKRKWMXSRNMKQ-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.31
Rot. Bonds2

About 4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole

4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole (PubChem CID 143311779) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole
PubChem CID143311779
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole
SMILESCc1ccccc1-c1nc2c(C)cc(C3CCNCC3)cc2[nH]1
InChIInChI=1S/C20H23N3/c1-13-5-3-4-6-17(13)20-22-18-12-16(11-14(2)19(18)23-20)15-7-9-21-10-8-15/h3-6,11-12,15,21H,7-10H2,1-2H3,(H,22,23)
InChIKeyITKRKWMXSRNMKQ-UHFFFAOYSA-N
XLogP4.31
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole?
The IUPAC name of 4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole (CID 143311779) is 4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole is Cc1ccccc1-c1nc2c(C)cc(C3CCNCC3)cc2[nH]1.
What is the InChIKey of 4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole?
The InChIKey is ITKRKWMXSRNMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-13-5-3-4-6-17(13)20-22-18-12-16(11-14(2)19(18)23-20)15-7-9-21-10-8-15/h3-6,11-12,15,21H,7-10H2,1-2H3,(H,22,23).
What are the key properties of 4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole?
4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole has a molecular weight of 305.43 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylphenyl)-6-piperidin-4-yl-1H-benzimidazole is sourced from PubChem (CID 143311779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).