4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid

C20H29N3O3 — CID 160800300

IUPAC4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid
SMILESCCCCC(=O)O.COc1ccc(-c2cnc(C3CCNCC3)[nH]2)cc1
InChIInChI=1S/C15H19N3O.C5H10O2/c1-19-13-4-2-11(3-5-13)14-10-17-15(18-14)12-6-8-16-9-7-12;1-2-3-4-5(6)7/h2-5,10,12,16H,6-9H2,1H3,(H,17,18);2-4H2,1H3,(H,6,7)
InChIKeySCZHJADCZGYCIM-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.81
Rot. Bonds6

About 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid

4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid (PubChem CID 160800300) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid
PubChem CID160800300
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid
SMILESCCCCC(=O)O.COc1ccc(-c2cnc(C3CCNCC3)[nH]2)cc1
InChIInChI=1S/C15H19N3O.C5H10O2/c1-19-13-4-2-11(3-5-13)14-10-17-15(18-14)12-6-8-16-9-7-12;1-2-3-4-5(6)7/h2-5,10,12,16H,6-9H2,1H3,(H,17,18);2-4H2,1H3,(H,6,7)
InChIKeySCZHJADCZGYCIM-UHFFFAOYSA-N
XLogP3.81
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 22615586
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine
CID 95474427
1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one
CID 10157055
4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 45216091
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 59486734
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878799
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878882
4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine
CID 82463603
2-cyclopropyl-5-(4-fluorophenyl)-1H-imidazole
CID 90241425
methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate
CID 116880251
4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid
CID 56776019
4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43650774

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid?
The IUPAC name of 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid (CID 160800300) is 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid is CCCCC(=O)O.COc1ccc(-c2cnc(C3CCNCC3)[nH]2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid?
The InChIKey is SCZHJADCZGYCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.C5H10O2/c1-19-13-4-2-11(3-5-13)14-10-17-15(18-14)12-6-8-16-9-7-12;1-2-3-4-5(6)7/h2-5,10,12,16H,6-9H2,1H3,(H,17,18);2-4H2,1H3,(H,6,7).
What are the key properties of 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid?
4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid has a molecular weight of 359.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid is sourced from PubChem (CID 160800300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).