2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine

C23H30N4 — CID 58730853

IUPAC2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2cc(C)c3nc(Cc4ccccc4)[nH]c3c2)CC1
InChIInChI=1S/C23H30N4/c1-17-14-20(19-8-11-27(12-9-19)13-10-24-2)16-21-23(17)26-22(25-21)15-18-6-4-3-5-7-18/h3-7,14,16,19,24H,8-13,15H2,1-2H3,(H,25,26)
InChIKeyRSSUDDNZUGQESJ-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.86
Rot. Bonds6

About 2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine

2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine (PubChem CID 58730853) has the molecular formula C23H30N4 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine
PubChem CID58730853
Molecular FormulaC23H30N4
Molecular Weight362.52 g/mol
Exact Mass362.25
IUPAC Name2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2cc(C)c3nc(Cc4ccccc4)[nH]c3c2)CC1
InChIInChI=1S/C23H30N4/c1-17-14-20(19-8-11-27(12-9-19)13-10-24-2)16-21-23(17)26-22(25-21)15-18-6-4-3-5-7-18/h3-7,14,16,19,24H,8-13,15H2,1-2H3,(H,25,26)
InChIKeyRSSUDDNZUGQESJ-UHFFFAOYSA-N
XLogP3.86
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine (CID 58730853) is 2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2cc(C)c3nc(Cc4ccccc4)[nH]c3c2)CC1.
What is the InChIKey of 2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine?
The InChIKey is RSSUDDNZUGQESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4/c1-17-14-20(19-8-11-27(12-9-19)13-10-24-2)16-21-23(17)26-22(25-21)15-18-6-4-3-5-7-18/h3-7,14,16,19,24H,8-13,15H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine?
2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine has a molecular weight of 362.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-benzyl-7-methyl-3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 58730853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).