5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine

C14H14ClN3S — CID 61474502

IUPAC5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine
SMILESCC(Cc1ccsc1)n1c(N)nc2cc(Cl)ccc21
InChIInChI=1S/C14H14ClN3S/c1-9(6-10-4-5-19-8-10)18-13-3-2-11(15)7-12(13)17-14(18)16/h2-5,7-9H,6H2,1H3,(H2,16,17)
InChIKeyFRLKSURSQAMQLS-UHFFFAOYSA-N
MW291.81 g/mol
LogP4.14
Rot. Bonds3

About 5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine

5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine (PubChem CID 61474502) has the molecular formula C14H14ClN3S and a molecular weight of 291.81 g/mol. Its IUPAC name is 5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine
PubChem CID61474502
Molecular FormulaC14H14ClN3S
Molecular Weight291.81 g/mol
Exact Mass291.06
IUPAC Name5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine
SMILESCC(Cc1ccsc1)n1c(N)nc2cc(Cl)ccc21
InChIInChI=1S/C14H14ClN3S/c1-9(6-10-4-5-19-8-10)18-13-3-2-11(15)7-12(13)17-14(18)16/h2-5,7-9H,6H2,1H3,(H2,16,17)
InChIKeyFRLKSURSQAMQLS-UHFFFAOYSA-N
XLogP4.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine (CID 61474502) is 5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine is CC(Cc1ccsc1)n1c(N)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine?
The InChIKey is FRLKSURSQAMQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S/c1-9(6-10-4-5-19-8-10)18-13-3-2-11(15)7-12(13)17-14(18)16/h2-5,7-9H,6H2,1H3,(H2,16,17).
What are the key properties of 5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine?
5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine has a molecular weight of 291.81 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 61474502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).