N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine

C15H14ClN3S — CID 106575438

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C15H14ClN3S/c1-11-10-19(12-5-3-2-4-6-12)15(18-11)17-9-13-7-8-14(16)20-13/h2-8,10H,9H2,1H3,(H,17,18)
InChIKeyCLHKVAPQHGIQBI-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.51
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine

N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine (PubChem CID 106575438) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine
PubChem CID106575438
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C15H14ClN3S/c1-11-10-19(12-5-3-2-4-6-12)15(18-11)17-9-13-7-8-14(16)20-13/h2-8,10H,9H2,1H3,(H,17,18)
InChIKeyCLHKVAPQHGIQBI-UHFFFAOYSA-N
XLogP4.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine 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-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine
CID 106570145
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106575425
4-methyl-N-(2-methylpropyl)-1-phenylimidazol-2-amine
CID 106554707
4-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylimidazol-2-amine
CID 106573444
N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine
CID 106555123
N-(2-methoxy-2-methylpropyl)-4-methyl-1-phenylimidazol-2-amine
CID 106581312
4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine
CID 106580561
N-(3-chloro-2-methylphenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106556333
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063465
4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine
CID 106579674
2-N-[(5-chlorothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine
CID 81132227
N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine
CID 107605161

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine (CID 106575438) is N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine is Cc1cn(-c2ccccc2)c(NCc2ccc(Cl)s2)n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine?
The InChIKey is CLHKVAPQHGIQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-11-10-19(12-5-3-2-4-6-12)15(18-11)17-9-13-7-8-14(16)20-13/h2-8,10H,9H2,1H3,(H,17,18).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine has a molecular weight of 303.82 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine is sourced from PubChem (CID 106575438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).