5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine

C17H16ClN3 — CID 62317084

IUPAC5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1C1CCc2ccccc2C1
InChIInChI=1S/C17H16ClN3/c18-13-6-8-16-15(10-13)20-17(19)21(16)14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14H,5,7,9H2,(H2,19,20)
InChIKeyIBSARRKRHBJDDC-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.00
Rot. Bonds1

About 5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine

5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine (PubChem CID 62317084) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine
PubChem CID62317084
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1C1CCc2ccccc2C1
InChIInChI=1S/C17H16ClN3/c18-13-6-8-16-15(10-13)20-17(19)21(16)14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14H,5,7,9H2,(H2,19,20)
InChIKeyIBSARRKRHBJDDC-UHFFFAOYSA-N
XLogP4.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine (CID 62317084) is 5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine is Nc1nc2cc(Cl)ccc2n1C1CCc2ccccc2C1.
What is the InChIKey of 5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine?
The InChIKey is IBSARRKRHBJDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-13-6-8-16-15(10-13)20-17(19)21(16)14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14H,5,7,9H2,(H2,19,20).
What are the key properties of 5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine?
5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine has a molecular weight of 297.79 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 62317084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).