1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine

C17H23ClN4 — CID 155558835

IUPAC1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine
SMILESClc1ccccc1CN1CCC(CNCc2cnc[nH]2)CC1
InChIInChI=1S/C17H23ClN4/c18-17-4-2-1-3-15(17)12-22-7-5-14(6-8-22)9-19-10-16-11-20-13-21-16/h1-4,11,13-14,19H,5-10,12H2,(H,20,21)
InChIKeyLKJIPJRIGSWFNY-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.06
Rot. Bonds6

About 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine

1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine (PubChem CID 155558835) has the molecular formula C17H23ClN4 and a molecular weight of 318.85 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine
PubChem CID155558835
Molecular FormulaC17H23ClN4
Molecular Weight318.85 g/mol
Exact Mass318.16
IUPAC Name1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine
SMILESClc1ccccc1CN1CCC(CNCc2cnc[nH]2)CC1
InChIInChI=1S/C17H23ClN4/c18-17-4-2-1-3-15(17)12-22-7-5-14(6-8-22)9-19-10-16-11-20-13-21-16/h1-4,11,13-14,19H,5-10,12H2,(H,20,21)
InChIKeyLKJIPJRIGSWFNY-UHFFFAOYSA-N
XLogP3.06
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Clobenpropit
CID 2790
4-(4-Chlorophenyl)Imidazole
CID 448632
BU-E 47
CID 14660352
3-(3-Chlorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656319
Imidazole derivative 8
CID 54670731
3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(3-chlorophenyl)propanamide
CID 9884637
3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(4-chlorophenyl)propanamide
CID 9928224
3-(1H-Imidazol-5-yl)propyl N'-(4-chlorobenzyl)-N-cyclohexylcarbamimidothioate
CID 10023327
3-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 24948458
Clobenprobit
CID 53321919
4-(4-Chlorophenyl)-4,5,6,7-tetrahydro-3h-imidazo[4,5-c]pyridine
CID 256466
4-(3-chlorophenyl)-3H,4H,5H,6H,7H-imidazo(4,5-c)pyridine
CID 3749162

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine (CID 155558835) is 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine is Clc1ccccc1CN1CCC(CNCc2cnc[nH]2)CC1.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine?
The InChIKey is LKJIPJRIGSWFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4/c18-17-4-2-1-3-15(17)12-22-7-5-14(6-8-22)9-19-10-16-11-20-13-21-16/h1-4,11,13-14,19H,5-10,12H2,(H,20,21).
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine?
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine has a molecular weight of 318.85 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine is sourced from PubChem (CID 155558835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).