[1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine

C9H10ClN3S — CID 106718039

IUPAC[1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine
SMILESNCc1cn(Cc2ccc(Cl)s2)cn1
InChIInChI=1S/C9H10ClN3S/c10-9-2-1-8(14-9)5-13-4-7(3-11)12-6-13/h1-2,4,6H,3,5,11H2
InChIKeyPDHRJTMFDDZVTM-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.11
Rot. Bonds3

About [1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine

[1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine (PubChem CID 106718039) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is [1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine
PubChem CID106718039
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name[1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine
SMILESNCc1cn(Cc2ccc(Cl)s2)cn1
InChIInChI=1S/C9H10ClN3S/c10-9-2-1-8(14-9)5-13-4-7(3-11)12-6-13/h1-2,4,6H,3,5,11H2
InChIKeyPDHRJTMFDDZVTM-UHFFFAOYSA-N
XLogP2.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-1,2,4-triazol-3-amine
CID 60911732
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine
CID 82468655
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride
CID 131637694
4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole
CID 130482295
[2-[(5-chlorothiophen-2-yl)methyl]tetrazol-5-yl]methanamine
CID 83644151
[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanamine
CID 106718131
[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine
CID 106718078
6-chloro-3-[(5-chlorothiophen-2-yl)methyl]pyrimidin-4-one
CID 114582090
[1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazol-4-yl]methanamine
CID 106718044
1-[(5-chlorothiophen-2-yl)methyl]pyrazol-3-amine
CID 60783078
4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole
CID 130705880
[1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine
CID 82470461

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine (CID 106718039) is [1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine is NCc1cn(Cc2ccc(Cl)s2)cn1.
What is the InChIKey of [1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine?
The InChIKey is PDHRJTMFDDZVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S/c10-9-2-1-8(14-9)5-13-4-7(3-11)12-6-13/h1-2,4,6H,3,5,11H2.
What are the key properties of [1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine?
[1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine has a molecular weight of 227.72 g/mol, XLogP of 2.11, 3 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]imidazol-4-yl]methanamine is sourced from PubChem (CID 106718039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).