[5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride

C14H19Cl2N3S — CID 22130251

IUPAC[5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride
SMILESCC(C)c1nc(CN)n(C)c1Sc1cccc(Cl)c1.Cl
InChIInChI=1S/C14H18ClN3S.ClH/c1-9(2)13-14(18(3)12(8-16)17-13)19-11-6-4-5-10(15)7-11;/h4-7,9H,8,16H2,1-3H3;1H
InChIKeyZHSZWVXGJPRVAM-UHFFFAOYSA-N
MW332.30 g/mol
LogP4.23
Rot. Bonds4

About [5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride

[5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride (PubChem CID 22130251) has the molecular formula C14H19Cl2N3S and a molecular weight of 332.30 g/mol. Its IUPAC name is [5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride
PubChem CID22130251
Molecular FormulaC14H19Cl2N3S
Molecular Weight332.30 g/mol
Exact Mass331.07
IUPAC Name[5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride
SMILESCC(C)c1nc(CN)n(C)c1Sc1cccc(Cl)c1.Cl
InChIInChI=1S/C14H18ClN3S.ClH/c1-9(2)13-14(18(3)12(8-16)17-13)19-11-6-4-5-10(15)7-11;/h4-7,9H,8,16H2,1-3H3;1H
InChIKeyZHSZWVXGJPRVAM-UHFFFAOYSA-N
XLogP4.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azidomethyl)-5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazole
CID 140978488
5-(3-chlorophenyl)sulfanyl-1,2-dimethyl-4-propan-2-ylimidazole;2-methyloxaziridin-3-one
CID 22130779
[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea
CID 21147125
4-[[5-(3-chlorophenyl)sulfanyl-2-methyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine;methanamine
CID 22130214
5-(3,5-dichlorophenyl)sulfanyl-2-[(4-methoxyphenyl)methoxymethyl]-1-methyl-4-propan-2-ylimidazole
CID 22130548
2-(2-azidoethyl)-5-(3-fluorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazole
CID 140978530
3-[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-2-yl]propyl carbamate
CID 22130571
3-[1-methyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]propanoic acid
CID 67558753
[6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine
CID 64587188
[4-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine
CID 62924514
2-[[5-(3-chlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methoxy]ethyl carbamate
CID 22130388
methyl 3-(1-methyl-5-phenylsulfanyl-4-propan-2-ylimidazol-2-yl)propanoate
CID 70000480

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride?
The IUPAC name of [5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride (CID 22130251) is [5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride is CC(C)c1nc(CN)n(C)c1Sc1cccc(Cl)c1.Cl.
What is the InChIKey of [5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride?
The InChIKey is ZHSZWVXGJPRVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S.ClH/c1-9(2)13-14(18(3)12(8-16)17-13)19-11-6-4-5-10(15)7-11;/h4-7,9H,8,16H2,1-3H3;1H.
What are the key properties of [5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride?
[5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride has a molecular weight of 332.30 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 22130251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).