2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole

C15H21N3 — CID 18365254

IUPAC2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole
SMILESCC(C)c1ccc2nc(C3CCNCC3)[nH]c2c1
InChIInChI=1S/C15H21N3/c1-10(2)12-3-4-13-14(9-12)18-15(17-13)11-5-7-16-8-6-11/h3-4,9-11,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyIRUKGUBOKCNCTO-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.15
Rot. Bonds2

About 2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole

2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole (PubChem CID 18365254) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole
PubChem CID18365254
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole
SMILESCC(C)c1ccc2nc(C3CCNCC3)[nH]c2c1
InChIInChI=1S/C15H21N3/c1-10(2)12-3-4-13-14(9-12)18-15(17-13)11-5-7-16-8-6-11/h3-4,9-11,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyIRUKGUBOKCNCTO-UHFFFAOYSA-N
XLogP3.15
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole
CID 82184491
6-methylsulfonyl-2-piperidin-4-yl-1H-benzimidazole
CID 62069300
6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium
CID 149471958
2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole
CID 95473984
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82497477
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973
2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine
CID 22308651
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
CID 162266881
CID 162266881
2-chloro-4-[(3S)-3-(6-propan-2-yl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]benzonitrile
CID 176984888
(E)-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 108756925

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole?
The IUPAC name of 2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole (CID 18365254) is 2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole.
What is the SMILES notation for 2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole?
The canonical SMILES for 2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole is CC(C)c1ccc2nc(C3CCNCC3)[nH]c2c1.
What is the InChIKey of 2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole?
The InChIKey is IRUKGUBOKCNCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)12-3-4-13-14(9-12)18-15(17-13)11-5-7-16-8-6-11/h3-4,9-11,16H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole?
2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole has a molecular weight of 243.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole is sourced from PubChem (CID 18365254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).