1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine

C16H15Cl2N3 — CID 63497400

IUPAC1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2N3/c1-9(2)16-20-13-8-11(19)4-6-14(13)21(16)15-7-10(17)3-5-12(15)18/h3-9H,19H2,1-2H3
InChIKeyALJNMFVGVUPBNZ-UHFFFAOYSA-N
MW320.22 g/mol
LogP5.04
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine

1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine (PubChem CID 63497400) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine
PubChem CID63497400
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2N3/c1-9(2)16-20-13-8-11(19)4-6-14(13)21(16)15-7-10(17)3-5-12(15)18/h3-9H,19H2,1-2H3
InChIKeyALJNMFVGVUPBNZ-UHFFFAOYSA-N
XLogP5.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine (CID 63497400) is 1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine is CC(C)c1nc2cc(N)ccc2n1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine?
The InChIKey is ALJNMFVGVUPBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-9(2)16-20-13-8-11(19)4-6-14(13)21(16)15-7-10(17)3-5-12(15)18/h3-9H,19H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine?
1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine has a molecular weight of 320.22 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 63497400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).