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

C12H14ClN3S — CID 106575435

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine
SMILESCc1cn(Cc2ccc(Cl)s2)c(NC2CC2)n1
InChIInChI=1S/C12H14ClN3S/c1-8-6-16(7-10-4-5-11(13)17-10)12(14-8)15-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,14,15)
InChIKeySZODIDHZJPYGFO-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.53
Rot. Bonds4

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

1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine (PubChem CID 106575435) has the molecular formula C12H14ClN3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine
PubChem CID106575435
Molecular FormulaC12H14ClN3S
Molecular Weight267.78 g/mol
Exact Mass267.06
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine
SMILESCc1cn(Cc2ccc(Cl)s2)c(NC2CC2)n1
InChIInChI=1S/C12H14ClN3S/c1-8-6-16(7-10-4-5-11(13)17-10)12(14-8)15-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,14,15)
InChIKeySZODIDHZJPYGFO-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554938
1-benzyl-N-cyclohexyl-4-methylimidazol-2-amine
CID 106555915
N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine
CID 106573878
N-cyclopropyl-4-methyl-1-(pyridin-3-ylmethyl)imidazol-2-amine
CID 106560493
N-cyclopropyl-4-methyl-1-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559095
N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine
CID 106558060
N-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine
CID 106580084
N-cyclopropyl-4-methyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine
CID 106579724
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952
4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine
CID 106582146
N-cyclohexyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylimidazol-2-amine
CID 106576145
N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560946

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine (CID 106575435) is 1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine is Cc1cn(Cc2ccc(Cl)s2)c(NC2CC2)n1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine?
The InChIKey is SZODIDHZJPYGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-8-6-16(7-10-4-5-11(13)17-10)12(14-8)15-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,14,15).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine?
1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine has a molecular weight of 267.78 g/mol, XLogP of 3.53, 4 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-cyclopropyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106575435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).