2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline

C20H24N4 — CID 94756262

IUPAC2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline
SMILESCc1ccc(-c2nc3ccccc3n2CC2CCNCC2)cc1N
InChIInChI=1S/C20H24N4/c1-14-6-7-16(12-17(14)21)20-23-18-4-2-3-5-19(18)24(20)13-15-8-10-22-11-9-15/h2-7,12,15,22H,8-11,13,21H2,1H3
InChIKeyCIBKPGJTTQXVBV-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.59
Rot. Bonds3

About 2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline

2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline (PubChem CID 94756262) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline.

Molecular Properties

Compound Name2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline
PubChem CID94756262
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline
SMILESCc1ccc(-c2nc3ccccc3n2CC2CCNCC2)cc1N
InChIInChI=1S/C20H24N4/c1-14-6-7-16(12-17(14)21)20-23-18-4-2-3-5-19(18)24(20)13-15-8-10-22-11-9-15/h2-7,12,15,22H,8-11,13,21H2,1H3
InChIKeyCIBKPGJTTQXVBV-UHFFFAOYSA-N
XLogP3.59
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline?
The IUPAC name of 2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline (CID 94756262) is 2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline.
What is the SMILES notation for 2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline?
The canonical SMILES for 2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline is Cc1ccc(-c2nc3ccccc3n2CC2CCNCC2)cc1N.
What is the InChIKey of 2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline?
The InChIKey is CIBKPGJTTQXVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-14-6-7-16(12-17(14)21)20-23-18-4-2-3-5-19(18)24(20)13-15-8-10-22-11-9-15/h2-7,12,15,22H,8-11,13,21H2,1H3.
What are the key properties of 2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline?
2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline has a molecular weight of 320.44 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline is sourced from PubChem (CID 94756262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).