1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine

C13H12ClN3S — CID 106035956

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1CCc1ccc(Cl)s1
InChIInChI=1S/C13H12ClN3S/c14-12-6-5-9(18-12)7-8-17-11-4-2-1-3-10(11)16-13(17)15/h1-6H,7-8H2,(H2,15,16)
InChIKeySEEDEROCIDSEAO-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.58
Rot. Bonds3

About 1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine

1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine (PubChem CID 106035956) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine
PubChem CID106035956
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1CCc1ccc(Cl)s1
InChIInChI=1S/C13H12ClN3S/c14-12-6-5-9(18-12)7-8-17-11-4-2-1-3-10(11)16-13(17)15/h1-6H,7-8H2,(H2,15,16)
InChIKeySEEDEROCIDSEAO-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)ethyl]-5-iodobenzimidazol-2-amine
CID 106036111
1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine
CID 106035989
6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine
CID 115470651
3-amino-4-[2-(5-chlorothiophen-2-yl)ethyl]-1H-1,2,4-triazole-5-thione
CID 106040067
1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine
CID 106036159
3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 106036057
N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide
CID 91520184
2-(chloromethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]-5-iodobenzimidazole
CID 106037680
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474
N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide
CID 87838534
1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide
CID 44888796
5-chloro-2-(1-chloroethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazole
CID 106037753

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine (CID 106035956) is 1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine is Nc1nc2ccccc2n1CCc1ccc(Cl)s1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine?
The InChIKey is SEEDEROCIDSEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c14-12-6-5-9(18-12)7-8-17-11-4-2-1-3-10(11)16-13(17)15/h1-6H,7-8H2,(H2,15,16).
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine?
1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine has a molecular weight of 277.78 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 106035956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).