6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole

C20H23N3 — CID 50901634

IUPAC6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole
SMILESCc1ccc(-n2c(N3CCCCC3)nc3ccc(C)cc32)cc1
InChIInChI=1S/C20H23N3/c1-15-6-9-17(10-7-15)23-19-14-16(2)8-11-18(19)21-20(23)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13H2,1-2H3
InChIKeyYJVGSOKRWGRRQG-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.63
Rot. Bonds2

About 6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole

6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole (PubChem CID 50901634) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole.

Molecular Properties

Compound Name6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole
PubChem CID50901634
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole
SMILESCc1ccc(-n2c(N3CCCCC3)nc3ccc(C)cc32)cc1
InChIInChI=1S/C20H23N3/c1-15-6-9-17(10-7-15)23-19-14-16(2)8-11-18(19)21-20(23)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13H2,1-2H3
InChIKeyYJVGSOKRWGRRQG-UHFFFAOYSA-N
XLogP4.63
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole
CID 44551201
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole
CID 44551198
methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
CID 122174668
4-(2-amino-6-methylbenzimidazol-1-yl)phenol
CID 84799602
2-(azepan-1-yl)-6-methyl-1H-benzimidazole
CID 110376234
6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid
CID 168514407
6-bromo-1-(4-methylphenyl)benzimidazol-2-amine
CID 65347163
6-methyl-2,4-di(piperidin-1-yl)quinoline
CID 14338122
6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole
CID 155921327
2-methyl-6-piperidin-1-ylquinoline
CID 82242491
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761136
1-[5,6-dichloro-1-(4-methylphenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 67034157

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole?
The IUPAC name of 6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole (CID 50901634) is 6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole.
What is the SMILES notation for 6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole?
The canonical SMILES for 6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole is Cc1ccc(-n2c(N3CCCCC3)nc3ccc(C)cc32)cc1.
What is the InChIKey of 6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole?
The InChIKey is YJVGSOKRWGRRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-15-6-9-17(10-7-15)23-19-14-16(2)8-11-18(19)21-20(23)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13H2,1-2H3.
What are the key properties of 6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole?
6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole has a molecular weight of 305.43 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole is sourced from PubChem (CID 50901634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).