[2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride

C16H16Cl2N4OS — CID 129078923

IUPAC[2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
SMILESCl.NCc1cc(-n2ccnc2)cc(Cl)c1Sc1ncccc1CO
InChIInChI=1S/C16H15ClN4OS.ClH/c17-14-7-13(21-5-4-19-10-21)6-12(8-18)15(14)23-16-11(9-22)2-1-3-20-16;/h1-7,10,22H,8-9,18H2;1H
InChIKeySRUWZDFOJXIBBF-UHFFFAOYSA-N
MW383.30 g/mol
LogP3.44
Rot. Bonds5

About [2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride

[2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride (PubChem CID 129078923) has the molecular formula C16H16Cl2N4OS and a molecular weight of 383.30 g/mol. Its IUPAC name is [2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride.

Molecular Properties

Compound Name[2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
PubChem CID129078923
Molecular FormulaC16H16Cl2N4OS
Molecular Weight383.30 g/mol
Exact Mass382.04
IUPAC Name[2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
SMILESCl.NCc1cc(-n2ccnc2)cc(Cl)c1Sc1ncccc1CO
InChIInChI=1S/C16H15ClN4OS.ClH/c17-14-7-13(21-5-4-19-10-21)6-12(8-18)15(14)23-16-11(9-22)2-1-3-20-16;/h1-7,10,22H,8-9,18H2;1H
InChIKeySRUWZDFOJXIBBF-UHFFFAOYSA-N
XLogP3.44
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(aminomethyl)-6-chloro-4-(2-fluoro-4-pyridinyl)phenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
CID 129079156
[2-[2-(aminomethyl)-6-chloro-4-(4-methylsulfonylphenyl)phenyl]sulfanyl-3-pyridinyl]methanol
CID 129079099
[2-[2-(aminomethyl)-6-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]sulfanyl-3-pyridinyl]methanol
CID 129079454
[2-[2-(aminomethyl)-3-bromo-6-chlorophenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
CID 129079381
[2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol
CID 129078938
[2-[2-(aminomethyl)-6-chloro-3-phenylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
CID 129079624
[2-[2-(aminomethyl)-6-chloro-4-(3-phenylmethoxyprop-1-ynyl)phenyl]sulfanyl-3-pyridinyl]methanol
CID 129078853
[2-[2-(aminomethyl)-6-chloro-3-pyridin-3-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
CID 130298348
[2-[2-(aminomethyl)-6-chloro-3-morpholin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
CID 129079067
(2-bromo-5-imidazol-1-ylphenyl)methanamine
CID 84707582
[2-[2-(aminomethyl)-6-chloro-4-(2-chloro-4-pyridinyl)phenyl]sulfanyl-3-pyridinyl] formate
CID 175543505
9H-fluoren-9-ylmethyl N-[[3-chloro-2-[[3-(hydroxymethyl)-2-pyridinyl]sulfanyl]-5-(2H-tetrazol-5-yl)phenyl]methyl]carbamate
CID 139530701

Frequently Asked Questions

What is the IUPAC name of [2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride?
The IUPAC name of [2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride (CID 129078923) is [2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride.
What is the SMILES notation for [2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride?
The canonical SMILES for [2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride is Cl.NCc1cc(-n2ccnc2)cc(Cl)c1Sc1ncccc1CO.
What is the InChIKey of [2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride?
The InChIKey is SRUWZDFOJXIBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS.ClH/c17-14-7-13(21-5-4-19-10-21)6-12(8-18)15(14)23-16-11(9-22)2-1-3-20-16;/h1-7,10,22H,8-9,18H2;1H.
What are the key properties of [2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride?
[2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride has a molecular weight of 383.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride is sourced from PubChem (CID 129078923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).