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

C23H23N5 — CID 97207632

IUPAC2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
SMILESc1ccc(Cn2ccnc2[C@H]2CCCN(c3ccc4ccccc4n3)C2)nc1
InChIInChI=1S/C23H23N5/c1-2-9-21-18(6-1)10-11-22(26-21)27-14-5-7-19(16-27)23-25-13-15-28(23)17-20-8-3-4-12-24-20/h1-4,6,8-13,15,19H,5,7,14,16-17H2/t19-/m0/s1
InChIKeyBAFOHOLFIMMZGD-IBGZPJMESA-N
MW369.47 g/mol
LogP4.26
Rot. Bonds4

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

2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline (PubChem CID 97207632) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
PubChem CID97207632
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
SMILESc1ccc(Cn2ccnc2[C@H]2CCCN(c3ccc4ccccc4n3)C2)nc1
InChIInChI=1S/C23H23N5/c1-2-9-21-18(6-1)10-11-22(26-21)27-14-5-7-19(16-27)23-25-13-15-28(23)17-20-8-3-4-12-24-20/h1-4,6,8-13,15,19H,5,7,14,16-17H2/t19-/m0/s1
InChIKeyBAFOHOLFIMMZGD-IBGZPJMESA-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

4-methyl-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 72859530
6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 97195658
6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97200300
4-methyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine
CID 72858908
2-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97202197
2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72906714
4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72872204
4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97282493
5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97141189
morpholin-4-yl-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97155138
2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97269025
1-[2-oxo-2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 97273855

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
The IUPAC name of 2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline (CID 97207632) is 2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline.
What is the SMILES notation for 2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
The canonical SMILES for 2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline is c1ccc(Cn2ccnc2[C@H]2CCCN(c3ccc4ccccc4n3)C2)nc1.
What is the InChIKey of 2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
The InChIKey is BAFOHOLFIMMZGD-IBGZPJMESA-N. The full InChI is InChI=1S/C23H23N5/c1-2-9-21-18(6-1)10-11-22(26-21)27-14-5-7-19(16-27)23-25-13-15-28(23)17-20-8-3-4-12-24-20/h1-4,6,8-13,15,19H,5,7,14,16-17H2/t19-/m0/s1.
What are the key properties of 2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
2-[(3S)-3-[1-(pyridin-2-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-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline is sourced from PubChem (CID 97207632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).