1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole

C15H21N3 — CID 141346102

IUPAC1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole
SMILESCC(C)N1CCC[C@@H](n2cnc3ccccc32)C1
InChIInChI=1S/C15H21N3/c1-12(2)17-9-5-6-13(10-17)18-11-16-14-7-3-4-8-15(14)18/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3/t13-/m1/s1
InChIKeyIUFYOZNVEBCEMJ-CYBMUJFWSA-N
MW243.35 g/mol
LogP3.08
Rot. Bonds2

About 1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole

1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole (PubChem CID 141346102) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole.

Molecular Properties

Compound Name1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole
PubChem CID141346102
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole
SMILESCC(C)N1CCC[C@@H](n2cnc3ccccc32)C1
InChIInChI=1S/C15H21N3/c1-12(2)17-9-5-6-13(10-17)18-11-16-14-7-3-4-8-15(14)18/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3/t13-/m1/s1
InChIKeyIUFYOZNVEBCEMJ-CYBMUJFWSA-N
XLogP3.08
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1-(1-propan-2-ylpiperidin-3-yl)benzimidazole
CID 141100470
(2S)-2-[(3S)-3-(benzimidazol-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95271780
4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride
CID 171992049
3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine
CID 79643579
dimethyl 5-[3-(benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate
CID 154859167
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
2-(4-oxoquinazolin-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 95229580
[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 121193758
2-(benzimidazol-1-yl)-1-propylpiperidin-3-ol
CID 135304460
2-[3-(benzimidazol-1-yl)azetidin-1-yl]-3-methylquinoxaline
CID 139028268
4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 82513545
6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole
CID 122608654

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole?
The IUPAC name of 1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole (CID 141346102) is 1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole.
What is the SMILES notation for 1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole?
The canonical SMILES for 1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole is CC(C)N1CCC[C@@H](n2cnc3ccccc32)C1.
What is the InChIKey of 1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole?
The InChIKey is IUFYOZNVEBCEMJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3/c1-12(2)17-9-5-6-13(10-17)18-11-16-14-7-3-4-8-15(14)18/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole?
1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole has a molecular weight of 243.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole is sourced from PubChem (CID 141346102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).