2-[4-[2-(2-methoxy-3-pyridinyl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine

C21H27N5O — CID 11848210

IUPAC2-[4-[2-(2-methoxy-3-pyridinyl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3nc(-c4cccnc4OC)[nH]c3c2)CC1
InChIInChI=1S/C21H27N5O/c1-22-10-13-26-11-7-15(8-12-26)16-5-6-18-19(14-16)25-20(24-18)17-4-3-9-23-21(17)27-2/h3-6,9,14-15,22H,7-8,10-13H2,1-2H3,(H,24,25)
InChIKeyOTBWCISHRYYXTG-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.03
Rot. Bonds6

About 2-[4-[2-(2-methoxy-3-pyridinyl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine

2-[4-[2-(2-methoxy-3-pyridinyl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 11848210) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxy-3-pyridinyl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(2-methoxy-3-pyridinyl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
PubChem CID11848210
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-[4-[2-(2-methoxy-3-pyridinyl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3nc(-c4cccnc4OC)[nH]c3c2)CC1
InChIInChI=1S/C21H27N5O/c1-22-10-13-26-11-7-15(8-12-26)16-5-6-18-19(14-16)25-20(24-18)17-4-3-9-23-21(17)27-2/h3-6,9,14-15,22H,7-8,10-13H2,1-2H3,(H,24,25)
InChIKeyOTBWCISHRYYXTG-UHFFFAOYSA-N
XLogP3.03
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxy-3-pyridinyl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(2-methoxy-3-pyridinyl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine (CID 11848210) is 2-[4-[2-(2-methoxy-3-pyridinyl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(2-methoxy-3-pyridinyl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(2-methoxy-3-pyridinyl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2ccc3nc(-c4cccnc4OC)[nH]c3c2)CC1.
What is the InChIKey of 2-[4-[2-(2-methoxy-3-pyridinyl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
The InChIKey is OTBWCISHRYYXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-22-10-13-26-11-7-15(8-12-26)16-5-6-18-19(14-16)25-20(24-18)17-4-3-9-23-21(17)27-2/h3-6,9,14-15,22H,7-8,10-13H2,1-2H3,(H,24,25).
What are the key properties of 2-[4-[2-(2-methoxy-3-pyridinyl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
2-[4-[2-(2-methoxy-3-pyridinyl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 365.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxy-3-pyridinyl)-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 11848210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).