1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole

C19H21N3 — CID 14012865

IUPAC1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole
SMILESc1ccc(-n2c(CC3CCNCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H21N3/c1-2-6-16(7-3-1)22-18-9-5-4-8-17(18)21-19(22)14-15-10-12-20-13-11-15/h1-9,15,20H,10-14H2
InChIKeyHJFUEWIECXZZFO-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.57
Rot. Bonds3

About 1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole

1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole (PubChem CID 14012865) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole
PubChem CID14012865
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole
SMILESc1ccc(-n2c(CC3CCNCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H21N3/c1-2-6-16(7-3-1)22-18-9-5-4-8-17(18)21-19(22)14-15-10-12-20-13-11-15/h1-9,15,20H,10-14H2
InChIKeyHJFUEWIECXZZFO-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole?
The IUPAC name of 1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole (CID 14012865) is 1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole.
What is the SMILES notation for 1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole?
The canonical SMILES for 1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole is c1ccc(-n2c(CC3CCNCC3)nc3ccccc32)cc1.
What is the InChIKey of 1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole?
The InChIKey is HJFUEWIECXZZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-2-6-16(7-3-1)22-18-9-5-4-8-17(18)21-19(22)14-15-10-12-20-13-11-15/h1-9,15,20H,10-14H2.
What are the key properties of 1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole?
1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole has a molecular weight of 291.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole is sourced from PubChem (CID 14012865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).