1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole

C21H25N3 — CID 24849559

IUPAC1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole
SMILESCc1cccc2nc(CN3CCC(c4ccccc4)CC3)n(C)c12
InChIInChI=1S/C21H25N3/c1-16-7-6-10-19-21(16)23(2)20(22-19)15-24-13-11-18(12-14-24)17-8-4-3-5-9-17/h3-10,18H,11-15H2,1-2H3
InChIKeyCIBJIYKMICOUDE-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.26
Rot. Bonds3

About 1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole

1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole (PubChem CID 24849559) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole
PubChem CID24849559
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole
SMILESCc1cccc2nc(CN3CCC(c4ccccc4)CC3)n(C)c12
InChIInChI=1S/C21H25N3/c1-16-7-6-10-19-21(16)23(2)20(22-19)15-24-13-11-18(12-14-24)17-8-4-3-5-9-17/h3-10,18H,11-15H2,1-2H3
InChIKeyCIBJIYKMICOUDE-UHFFFAOYSA-N
XLogP4.26
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6R)-2,6-dimethyl-4-[3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]phenyl]morpholine
CID 24815515
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole
CID 24815438
1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 125023444
1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 95845112
4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine
CID 11581161
2-phenyl-6-[(4-phenylpiperidin-1-yl)methyl]pyridine
CID 19863623
3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 72939419
2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline
CID 23497657
3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,2-benzothiazole
CID 46225583
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
4-[(1,7-dimethylbenzimidazol-2-yl)methyl]aniline
CID 81454969

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole?
The IUPAC name of 1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole (CID 24849559) is 1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole.
What is the SMILES notation for 1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole?
The canonical SMILES for 1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole is Cc1cccc2nc(CN3CCC(c4ccccc4)CC3)n(C)c12.
What is the InChIKey of 1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole?
The InChIKey is CIBJIYKMICOUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-16-7-6-10-19-21(16)23(2)20(22-19)15-24-13-11-18(12-14-24)17-8-4-3-5-9-17/h3-10,18H,11-15H2,1-2H3.
What are the key properties of 1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole?
1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole has a molecular weight of 319.45 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole is sourced from PubChem (CID 24849559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).