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

C22H29N5O — CID 45487348

IUPAC2-[4-[2-(2-methoxy-3-pyridinyl)-1-methylbenzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3c(c2)nc(-c2cccnc2OC)n3C)CC1
InChIInChI=1S/C22H29N5O/c1-23-11-14-27-12-8-16(9-13-27)17-6-7-20-19(15-17)25-21(26(20)2)18-5-4-10-24-22(18)28-3/h4-7,10,15-16,23H,8-9,11-14H2,1-3H3
InChIKeyIGYBIDBJKVZVIC-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.04
Rot. Bonds6

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

2-[4-[2-(2-methoxy-3-pyridinyl)-1-methylbenzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 45487348) 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)-1-methylbenzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(2-methoxy-3-pyridinyl)-1-methylbenzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
PubChem CID45487348
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name2-[4-[2-(2-methoxy-3-pyridinyl)-1-methylbenzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3c(c2)nc(-c2cccnc2OC)n3C)CC1
InChIInChI=1S/C22H29N5O/c1-23-11-14-27-12-8-16(9-13-27)17-6-7-20-19(15-17)25-21(26(20)2)18-5-4-10-24-22(18)28-3/h4-7,10,15-16,23H,8-9,11-14H2,1-3H3
InChIKeyIGYBIDBJKVZVIC-UHFFFAOYSA-N
XLogP3.04
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxy-3-pyridinyl)-1-methylbenzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(2-methoxy-3-pyridinyl)-1-methylbenzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine (CID 45487348) is 2-[4-[2-(2-methoxy-3-pyridinyl)-1-methylbenzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(2-methoxy-3-pyridinyl)-1-methylbenzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(2-methoxy-3-pyridinyl)-1-methylbenzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2ccc3c(c2)nc(-c2cccnc2OC)n3C)CC1.
What is the InChIKey of 2-[4-[2-(2-methoxy-3-pyridinyl)-1-methylbenzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
The InChIKey is IGYBIDBJKVZVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-23-11-14-27-12-8-16(9-13-27)17-6-7-20-19(15-17)25-21(26(20)2)18-5-4-10-24-22(18)28-3/h4-7,10,15-16,23H,8-9,11-14H2,1-3H3.
What are the key properties of 2-[4-[2-(2-methoxy-3-pyridinyl)-1-methylbenzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine?
2-[4-[2-(2-methoxy-3-pyridinyl)-1-methylbenzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 379.51 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxy-3-pyridinyl)-1-methylbenzimidazol-5-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 45487348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).