2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole

C19H27N3 — CID 82149774

IUPAC2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole
SMILESCc1cc2nc(C3CCC3)n(CC3CCCNC3)c2cc1C
InChIInChI=1S/C19H27N3/c1-13-9-17-18(10-14(13)2)22(12-15-5-4-8-20-11-15)19(21-17)16-6-3-7-16/h9-10,15-16,20H,3-8,11-12H2,1-2H3
InChIKeyFLVOCHZBVIHOSI-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.92
Rot. Bonds3

About 2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole

2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole (PubChem CID 82149774) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole
PubChem CID82149774
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole
SMILESCc1cc2nc(C3CCC3)n(CC3CCCNC3)c2cc1C
InChIInChI=1S/C19H27N3/c1-13-9-17-18(10-14(13)2)22(12-15-5-4-8-20-11-15)19(21-17)16-6-3-7-16/h9-10,15-16,20H,3-8,11-12H2,1-2H3
InChIKeyFLVOCHZBVIHOSI-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole
CID 82149737
2-ethyl-5,6-dimethoxy-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149776
3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol
CID 82149547
1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 54920145
5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149802
2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160831
6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 178046830
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 82333331
2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 79367324
3-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)propanethioamide
CID 82149848
4-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)butanenitrile
CID 82150457

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole?
The IUPAC name of 2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole (CID 82149774) is 2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole?
The canonical SMILES for 2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole is Cc1cc2nc(C3CCC3)n(CC3CCCNC3)c2cc1C.
What is the InChIKey of 2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole?
The InChIKey is FLVOCHZBVIHOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-13-9-17-18(10-14(13)2)22(12-15-5-4-8-20-11-15)19(21-17)16-6-3-7-16/h9-10,15-16,20H,3-8,11-12H2,1-2H3.
What are the key properties of 2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole?
2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole has a molecular weight of 297.45 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 82149774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).