5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine

C10H11Cl2N3 — CID 22995418

IUPAC5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine
SMILESCC(C)Nc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C10H11Cl2N3/c1-5(2)13-10-14-8-3-6(11)7(12)4-9(8)15-10/h3-5H,1-2H3,(H2,13,14,15)
InChIKeyUJZLEUQGTILGOG-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.69
Rot. Bonds2

About 5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine

5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine (PubChem CID 22995418) has the molecular formula C10H11Cl2N3 and a molecular weight of 244.12 g/mol. Its IUPAC name is 5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine
PubChem CID22995418
Molecular FormulaC10H11Cl2N3
Molecular Weight244.12 g/mol
Exact Mass243.03
IUPAC Name5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine
SMILESCC(C)Nc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C10H11Cl2N3/c1-5(2)13-10-14-8-3-6(11)7(12)4-9(8)15-10/h3-5H,1-2H3,(H2,13,14,15)
InChIKeyUJZLEUQGTILGOG-UHFFFAOYSA-N
XLogP3.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine?
The IUPAC name of 5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine (CID 22995418) is 5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine.
What is the SMILES notation for 5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine?
The canonical SMILES for 5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine is CC(C)Nc1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine?
The InChIKey is UJZLEUQGTILGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3/c1-5(2)13-10-14-8-3-6(11)7(12)4-9(8)15-10/h3-5H,1-2H3,(H2,13,14,15).
What are the key properties of 5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine?
5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine has a molecular weight of 244.12 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-propan-2-yl-1H-benzimidazol-2-amine is sourced from PubChem (CID 22995418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).