N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine

C15H13Cl2N3 — CID 63535929

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine
SMILESCC(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3/c1-9(11-7-6-10(16)8-12(11)17)18-15-19-13-4-2-3-5-14(13)20-15/h2-9H,1H3,(H2,18,19,20)
InChIKeyFKZWFPQZHMPUOM-UHFFFAOYSA-N
MW306.20 g/mol
LogP5.04
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine

N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine (PubChem CID 63535929) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine
PubChem CID63535929
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine
SMILESCC(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3/c1-9(11-7-6-10(16)8-12(11)17)18-15-19-13-4-2-3-5-14(13)20-15/h2-9H,1H3,(H2,18,19,20)
InChIKeyFKZWFPQZHMPUOM-UHFFFAOYSA-N
XLogP5.04
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.20
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine (CID 63535929) is N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine is CC(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine?
The InChIKey is FKZWFPQZHMPUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-9(11-7-6-10(16)8-12(11)17)18-15-19-13-4-2-3-5-14(13)20-15/h2-9H,1H3,(H2,18,19,20).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine?
N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine has a molecular weight of 306.20 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 63535929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).