6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine

C15H16ClN3S — CID 115470720

IUPAC6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine
SMILESCC(C)(Cn1c(N)nc2ccc(Cl)cc21)c1cccs1
InChIInChI=1S/C15H16ClN3S/c1-15(2,13-4-3-7-20-13)9-19-12-8-10(16)5-6-11(12)18-14(19)17/h3-8H,9H2,1-2H3,(H2,17,18)
InChIKeyWBSAUCFLWIUDMX-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.31
Rot. Bonds3

About 6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine

6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine (PubChem CID 115470720) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine
PubChem CID115470720
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine
SMILESCC(C)(Cn1c(N)nc2ccc(Cl)cc21)c1cccs1
InChIInChI=1S/C15H16ClN3S/c1-15(2,13-4-3-7-20-13)9-19-12-8-10(16)5-6-11(12)18-14(19)17/h3-8H,9H2,1-2H3,(H2,17,18)
InChIKeyWBSAUCFLWIUDMX-UHFFFAOYSA-N
XLogP4.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine (CID 115470720) is 6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine is CC(C)(Cn1c(N)nc2ccc(Cl)cc21)c1cccs1.
What is the InChIKey of 6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine?
The InChIKey is WBSAUCFLWIUDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-15(2,13-4-3-7-20-13)9-19-12-8-10(16)5-6-11(12)18-14(19)17/h3-8H,9H2,1-2H3,(H2,17,18).
What are the key properties of 6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine?
6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine has a molecular weight of 305.83 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 115470720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).