1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine

C12H16ClN3S — CID 106575432

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)CNc1nccn1Cc1ccc(Cl)s1
InChIInChI=1S/C12H16ClN3S/c1-9(2)7-15-12-14-5-6-16(12)8-10-3-4-11(13)17-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyRCSWCSIVIKRETO-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.71
Rot. Bonds5

About 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine

1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106575432) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106575432
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)CNc1nccn1Cc1ccc(Cl)s1
InChIInChI=1S/C12H16ClN3S/c1-9(2)7-15-12-14-5-6-16(12)8-10-3-4-11(13)17-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyRCSWCSIVIKRETO-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine (CID 106575432) is 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine is CC(C)CNc1nccn1Cc1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is RCSWCSIVIKRETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-9(2)7-15-12-14-5-6-16(12)8-10-3-4-11(13)17-10/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine?
1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 269.80 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106575432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).