2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline

C23H23N5 — CID 70725155

IUPAC2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
SMILESc1cncc(Cn2ccnc2C2CCN(c3ccc4ccccc4n3)CC2)c1
InChIInChI=1S/C23H23N5/c1-2-6-21-19(5-1)7-8-22(26-21)27-13-9-20(10-14-27)23-25-12-15-28(23)17-18-4-3-11-24-16-18/h1-8,11-12,15-16,20H,9-10,13-14,17H2
InChIKeyYKWCCSRSBLPAOW-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.26
Rot. Bonds4

About 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline

2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline (PubChem CID 70725155) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
PubChem CID70725155
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
SMILESc1cncc(Cn2ccnc2C2CCN(c3ccc4ccccc4n3)CC2)c1
InChIInChI=1S/C23H23N5/c1-2-6-21-19(5-1)7-8-22(26-21)27-13-9-20(10-14-27)23-25-12-15-28(23)17-18-4-3-11-24-16-18/h1-8,11-12,15-16,20H,9-10,13-14,17H2
InChIKeyYKWCCSRSBLPAOW-UHFFFAOYSA-N
XLogP4.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-quinolin-2-ylpiperidin-4-yl)imidazol-1-yl]acetamide
CID 72938350
2,6-dimethyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 70721028
2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 72933428
N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide
CID 72852570
5-methyl-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 70776652
2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72900364
2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline
CID 70740842
4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97155167
2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97207632
(5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72870005
6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 72852375
(2-ethyl-4-pyridinyl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72855314

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
The IUPAC name of 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline (CID 70725155) is 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline.
What is the SMILES notation for 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
The canonical SMILES for 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline is c1cncc(Cn2ccnc2C2CCN(c3ccc4ccccc4n3)CC2)c1.
What is the InChIKey of 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
The InChIKey is YKWCCSRSBLPAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-2-6-21-19(5-1)7-8-22(26-21)27-13-9-20(10-14-27)23-25-12-15-28(23)17-18-4-3-11-24-16-18/h1-8,11-12,15-16,20H,9-10,13-14,17H2.
What are the key properties of 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline has a molecular weight of 369.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline is sourced from PubChem (CID 70725155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).