N-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine

C20H24N4 — CID 18687492

IUPACN-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine
SMILESCn1c(NC2CCNC(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C20H24N4/c1-24-19-10-6-5-9-18(19)23-20(24)22-16-11-12-21-17(14-16)13-15-7-3-2-4-8-15/h2-10,16-17,21H,11-14H2,1H3,(H,22,23)
InChIKeyCEWHQNGPGQTPRS-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.35
Rot. Bonds4

About N-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine

N-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine (PubChem CID 18687492) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine
PubChem CID18687492
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC NameN-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine
SMILESCn1c(NC2CCNC(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C20H24N4/c1-24-19-10-6-5-9-18(19)23-20(24)22-16-11-12-21-17(14-16)13-15-7-3-2-4-8-15/h2-10,16-17,21H,11-14H2,1H3,(H,22,23)
InChIKeyCEWHQNGPGQTPRS-UHFFFAOYSA-N
XLogP3.35
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine?
The IUPAC name of N-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine (CID 18687492) is N-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine is Cn1c(NC2CCNC(Cc3ccccc3)C2)nc2ccccc21.
What is the InChIKey of N-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine?
The InChIKey is CEWHQNGPGQTPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-24-19-10-6-5-9-18(19)23-20(24)22-16-11-12-21-17(14-16)13-15-7-3-2-4-8-15/h2-10,16-17,21H,11-14H2,1H3,(H,22,23).
What are the key properties of N-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine?
N-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine has a molecular weight of 320.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 18687492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).