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

C23H30N4O — CID 45487361

IUPAC2-[4-[2-(2-methoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2cc(C)c3nc(-c4ccccc4OC)[nH]c3c2)CC1
InChIInChI=1S/C23H30N4O/c1-16-14-18(17-8-11-27(12-9-17)13-10-24-2)15-20-22(16)26-23(25-20)19-6-4-5-7-21(19)28-3/h4-7,14-15,17,24H,8-13H2,1-3H3,(H,25,26)
InChIKeyUIOCYUYAFSMOJF-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.95
Rot. Bonds6

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

2-[4-[2-(2-methoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 45487361) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(2-methoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
PubChem CID45487361
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name2-[4-[2-(2-methoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2cc(C)c3nc(-c4ccccc4OC)[nH]c3c2)CC1
InChIInChI=1S/C23H30N4O/c1-16-14-18(17-8-11-27(12-9-17)13-10-24-2)15-20-22(16)26-23(25-20)19-6-4-5-7-21(19)28-3/h4-7,14-15,17,24H,8-13H2,1-3H3,(H,25,26)
InChIKeyUIOCYUYAFSMOJF-UHFFFAOYSA-N
XLogP3.95
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(2-methoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine (CID 45487361) is 2-[4-[2-(2-methoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(2-methoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(2-methoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2cc(C)c3nc(-c4ccccc4OC)[nH]c3c2)CC1.
What is the InChIKey of 2-[4-[2-(2-methoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
The InChIKey is UIOCYUYAFSMOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-16-14-18(17-8-11-27(12-9-17)13-10-24-2)15-20-22(16)26-23(25-20)19-6-4-5-7-21(19)28-3/h4-7,14-15,17,24H,8-13H2,1-3H3,(H,25,26).
What are the key properties of 2-[4-[2-(2-methoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
2-[4-[2-(2-methoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 378.52 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxyphenyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 45487361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).