N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine

C14H14ClN3OS — CID 61324706

IUPACN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine
SMILESClc1ccc(C(NCCn2ccnc2)c2ccco2)s1
InChIInChI=1S/C14H14ClN3OS/c15-13-4-3-12(20-13)14(11-2-1-9-19-11)17-6-8-18-7-5-16-10-18/h1-5,7,9-10,14,17H,6,8H2
InChIKeyRPKZFANVWXIHNE-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.57
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine (PubChem CID 61324706) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine
PubChem CID61324706
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine
SMILESClc1ccc(C(NCCn2ccnc2)c2ccco2)s1
InChIInChI=1S/C14H14ClN3OS/c15-13-4-3-12(20-13)14(11-2-1-9-19-11)17-6-8-18-7-5-16-10-18/h1-5,7,9-10,14,17H,6,8H2
InChIKeyRPKZFANVWXIHNE-UHFFFAOYSA-N
XLogP3.57
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine
CID 61324705
1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol
CID 61462995
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine
CID 63450559
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007751
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
CID 62694537
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-ethylethanesulfonamide
CID 106334631
1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 106009564
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60697416
4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine
CID 83167719
3-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2,2-dimethylpropan-1-ol
CID 115359136
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide
CID 43777895
1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine
CID 79231629

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine (CID 61324706) is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine is Clc1ccc(C(NCCn2ccnc2)c2ccco2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine?
The InChIKey is RPKZFANVWXIHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c15-13-4-3-12(20-13)14(11-2-1-9-19-11)17-6-8-18-7-5-16-10-18/h1-5,7,9-10,14,17H,6,8H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine?
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine has a molecular weight of 307.81 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine is sourced from PubChem (CID 61324706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).