6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine

C12H9Cl2N3S — CID 115470651

IUPAC6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1Cc1ccc(Cl)s1
InChIInChI=1S/C12H9Cl2N3S/c13-7-1-3-9-10(5-7)17(12(15)16-9)6-8-2-4-11(14)18-8/h1-5H,6H2,(H2,15,16)
InChIKeyNXJLRJVXYHELKV-UHFFFAOYSA-N
MW298.20 g/mol
LogP4.04
Rot. Bonds2

About 6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine

6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine (PubChem CID 115470651) has the molecular formula C12H9Cl2N3S and a molecular weight of 298.20 g/mol. Its IUPAC name is 6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine
PubChem CID115470651
Molecular FormulaC12H9Cl2N3S
Molecular Weight298.20 g/mol
Exact Mass296.99
IUPAC Name6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1Cc1ccc(Cl)s1
InChIInChI=1S/C12H9Cl2N3S/c13-7-1-3-9-10(5-7)17(12(15)16-9)6-8-2-4-11(14)18-8/h1-5H,6H2,(H2,15,16)
InChIKeyNXJLRJVXYHELKV-UHFFFAOYSA-N
XLogP4.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375087
6-chloro-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 115470581
2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid
CID 84735746
1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxybenzimidazol-2-amine
CID 106035989
1-[2-(5-chlorothiophen-2-yl)ethyl]benzimidazol-2-amine
CID 106035956
1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053654
6-chloro-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine
CID 114956852
6-chloro-2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole
CID 106005408
2-(chloromethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-6-methylbenzimidazole
CID 103593765
6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406239
6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 115470557
6-chloro-1-[2-(1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine
CID 113316213

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine (CID 115470651) is 6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine is Nc1nc2ccc(Cl)cc2n1Cc1ccc(Cl)s1.
What is the InChIKey of 6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is NXJLRJVXYHELKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3S/c13-7-1-3-9-10(5-7)17(12(15)16-9)6-8-2-4-11(14)18-8/h1-5H,6H2,(H2,15,16).
What are the key properties of 6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine?
6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 298.20 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 115470651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).