1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine

C20H24N4 — CID 12891700

IUPAC1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine
SMILESCN1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C20H24N4/c1-23-13-11-17(12-14-23)21-20-22-18-9-5-6-10-19(18)24(20)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H,21,22)
InChIKeyPEXCQWULUILEAE-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.59
Rot. Bonds4

About 1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine

1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine (PubChem CID 12891700) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine
PubChem CID12891700
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine
SMILESCN1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C20H24N4/c1-23-13-11-17(12-14-23)21-20-22-18-9-5-6-10-19(18)24(20)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H,21,22)
InChIKeyPEXCQWULUILEAE-UHFFFAOYSA-N
XLogP3.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine?
The IUPAC name of 1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine (CID 12891700) is 1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine?
The canonical SMILES for 1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine is CN1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine?
The InChIKey is PEXCQWULUILEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-23-13-11-17(12-14-23)21-20-22-18-9-5-6-10-19(18)24(20)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H,21,22).
What are the key properties of 1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine?
1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine has a molecular weight of 320.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine is sourced from PubChem (CID 12891700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).