N-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride

C17H17ClN4S — CID 67214155

IUPACN-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride
SMILESCNCc1ncc(-c2ccc3c(c2)Nc2ccccc2S3)[nH]1.Cl
InChIInChI=1S/C17H16N4S.ClH/c1-18-10-17-19-9-14(21-17)11-6-7-16-13(8-11)20-12-4-2-3-5-15(12)22-16;/h2-9,18,20H,10H2,1H3,(H,19,21);1H
InChIKeyYPKDCGYHCTVQHM-UHFFFAOYSA-N
MW344.87 g/mol
LogP4.43
Rot. Bonds3

About N-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride

N-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride (PubChem CID 67214155) has the molecular formula C17H17ClN4S and a molecular weight of 344.87 g/mol. Its IUPAC name is N-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride
PubChem CID67214155
Molecular FormulaC17H17ClN4S
Molecular Weight344.87 g/mol
Exact Mass344.09
IUPAC NameN-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride
SMILESCNCc1ncc(-c2ccc3c(c2)Nc2ccccc2S3)[nH]1.Cl
InChIInChI=1S/C17H16N4S.ClH/c1-18-10-17-19-9-14(21-17)11-6-7-16-13(8-11)20-12-4-2-3-5-15(12)22-16;/h2-9,18,20H,10H2,1H3,(H,19,21);1H
InChIKeyYPKDCGYHCTVQHM-UHFFFAOYSA-N
XLogP4.43
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

Analyze N-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(5-phenyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 72716194
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401
5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 82293405
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651418
1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 95466155
1-methyl-6-[2-(methylaminomethyl)-1H-imidazol-5-yl]-3,4-dihydroquinolin-2-one
CID 95473943
2-methyl-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]propan-1-amine
CID 63954065
1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 82305684
N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 53398821
2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine
CID 63954680
N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 60843269

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride (CID 67214155) is N-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride is CNCc1ncc(-c2ccc3c(c2)Nc2ccccc2S3)[nH]1.Cl.
What is the InChIKey of N-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride?
The InChIKey is YPKDCGYHCTVQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4S.ClH/c1-18-10-17-19-9-14(21-17)11-6-7-16-13(8-11)20-12-4-2-3-5-15(12)22-16;/h2-9,18,20H,10H2,1H3,(H,19,21);1H.
What are the key properties of N-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride?
N-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride has a molecular weight of 344.87 g/mol, XLogP of 4.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(10H-phenothiazin-2-yl)-1H-imidazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 67214155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).