(2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone

C18H25N3O — CID 110765727

IUPAC(2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C18H25N3O/c1-12(2)20-11-19-16-10-15(8-9-17(16)20)18(22)21-13(3)6-5-7-14(21)4/h8-14H,5-7H2,1-4H3
InChIKeyIXTUTLOBAIAPFY-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.02
Rot. Bonds2

About (2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone

(2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone (PubChem CID 110765727) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone
PubChem CID110765727
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C18H25N3O/c1-12(2)20-11-19-16-10-15(8-9-17(16)20)18(22)21-13(3)6-5-7-14(21)4/h8-14H,5-7H2,1-4H3
InChIKeyIXTUTLOBAIAPFY-UHFFFAOYSA-N
XLogP4.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone
CID 75495784
[3-(aminomethyl)piperidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone
CID 75469363
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
(4-methylsulfonyl-1,4-diazepan-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone
CID 110809945
4-oxo-4-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82500461
(2-bromo-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103755682
N-(4-acetylphenyl)-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765756
(3,4-diethoxyphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 976266
N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110163786
(2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104628294
(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 30115915
N-(3-acetamidophenyl)-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765757

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone (CID 110765727) is (2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone is CC1CCCC(C)N1C(=O)c1ccc2c(c1)ncn2C(C)C.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone?
The InChIKey is IXTUTLOBAIAPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12(2)20-11-19-16-10-15(8-9-17(16)20)18(22)21-13(3)6-5-7-14(21)4/h8-14H,5-7H2,1-4H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone?
(2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone has a molecular weight of 299.42 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(1-propan-2-ylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 110765727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).