1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole

C17H19N5 — CID 110097000

IUPAC1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole
SMILESc1ccc2c(c1)ncn2-c1cc(CC2CCCNC2)ncn1
InChIInChI=1S/C17H19N5/c1-2-6-16-15(5-1)21-12-22(16)17-9-14(19-11-20-17)8-13-4-3-7-18-10-13/h1-2,5-6,9,11-13,18H,3-4,7-8,10H2
InChIKeyFUQQFSBZNSSQMW-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.36
Rot. Bonds3

About 1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole

1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole (PubChem CID 110097000) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole.

Molecular Properties

Compound Name1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole
PubChem CID110097000
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole
SMILESc1ccc2c(c1)ncn2-c1cc(CC2CCCNC2)ncn1
InChIInChI=1S/C17H19N5/c1-2-6-16-15(5-1)21-12-22(16)17-9-14(19-11-20-17)8-13-4-3-7-18-10-13/h1-2,5-6,9,11-13,18H,3-4,7-8,10H2
InChIKeyFUQQFSBZNSSQMW-UHFFFAOYSA-N
XLogP2.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole
CID 175657666
1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 167962451
4-(piperidin-3-ylmethyl)quinazoline
CID 105484818
1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689106
4-[6-[[(4R)-azepan-4-yl]methyl]pyrimidin-4-yl]morpholine
CID 95846408
4-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzoic acid
CID 110096548
2-[[(3R)-piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyridine
CID 95846194
2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine
CID 115009336
1-(piperidin-3-ylmethyl)benzimidazol-5-ol
CID 84794554
5-(piperidin-3-ylmethyl)quinoline
CID 73439136
1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine
CID 106643971
1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689788

Frequently Asked Questions

What is the IUPAC name of 1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole?
The IUPAC name of 1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole (CID 110097000) is 1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole.
What is the SMILES notation for 1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole?
The canonical SMILES for 1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole is c1ccc2c(c1)ncn2-c1cc(CC2CCCNC2)ncn1.
What is the InChIKey of 1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole?
The InChIKey is FUQQFSBZNSSQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-6-16-15(5-1)21-12-22(16)17-9-14(19-11-20-17)8-13-4-3-7-18-10-13/h1-2,5-6,9,11-13,18H,3-4,7-8,10H2.
What are the key properties of 1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole?
1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole has a molecular weight of 293.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole is sourced from PubChem (CID 110097000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).