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

C22H29N5O — CID 45487360

IUPAC2-[4-[2-(2-methoxy-3-pyridinyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2cc(C)c3nc(-c4cccnc4OC)[nH]c3c2)CC1
InChIInChI=1S/C22H29N5O/c1-15-13-17(16-6-10-27(11-7-16)12-9-23-2)14-19-20(15)26-21(25-19)18-5-4-8-24-22(18)28-3/h4-5,8,13-14,16,23H,6-7,9-12H2,1-3H3,(H,25,26)
InChIKeyKURQUYFXRUVCIU-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.34
Rot. Bonds6

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

2-[4-[2-(2-methoxy-3-pyridinyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 45487360) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxy-3-pyridinyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(2-methoxy-3-pyridinyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
PubChem CID45487360
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name2-[4-[2-(2-methoxy-3-pyridinyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2cc(C)c3nc(-c4cccnc4OC)[nH]c3c2)CC1
InChIInChI=1S/C22H29N5O/c1-15-13-17(16-6-10-27(11-7-16)12-9-23-2)14-19-20(15)26-21(25-19)18-5-4-8-24-22(18)28-3/h4-5,8,13-14,16,23H,6-7,9-12H2,1-3H3,(H,25,26)
InChIKeyKURQUYFXRUVCIU-UHFFFAOYSA-N
XLogP3.34
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.34
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)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(2-methoxy-3-pyridinyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine (CID 45487360) is 2-[4-[2-(2-methoxy-3-pyridinyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(2-methoxy-3-pyridinyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(2-methoxy-3-pyridinyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2cc(C)c3nc(-c4cccnc4OC)[nH]c3c2)CC1.
What is the InChIKey of 2-[4-[2-(2-methoxy-3-pyridinyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
The InChIKey is KURQUYFXRUVCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-15-13-17(16-6-10-27(11-7-16)12-9-23-2)14-19-20(15)26-21(25-19)18-5-4-8-24-22(18)28-3/h4-5,8,13-14,16,23H,6-7,9-12H2,1-3H3,(H,25,26).
What are the key properties of 2-[4-[2-(2-methoxy-3-pyridinyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
2-[4-[2-(2-methoxy-3-pyridinyl)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 379.51 g/mol, XLogP of 3.34, 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)-7-methyl-3H-benzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 45487360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).