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

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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).