(4,6-dichloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone

C13H14Cl2N4O — CID 11609325

IUPAC(4,6-dichloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nc3c(Cl)cc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C13H14Cl2N4O/c1-18-2-4-19(5-3-18)13(20)12-16-10-7-8(14)6-9(15)11(10)17-12/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyVJLNEEAKLMXGQX-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.26
Rot. Bonds1

About (4,6-dichloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone

(4,6-dichloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 11609325) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is (4,6-dichloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4,6-dichloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID11609325
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name(4,6-dichloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nc3c(Cl)cc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C13H14Cl2N4O/c1-18-2-4-19(5-3-18)13(20)12-16-10-7-8(14)6-9(15)11(10)17-12/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyVJLNEEAKLMXGQX-UHFFFAOYSA-N
XLogP2.26
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,6-dichloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4,6-dichloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 11609325) is (4,6-dichloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4,6-dichloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4,6-dichloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2nc3c(Cl)cc(Cl)cc3[nH]2)CC1.
What is the InChIKey of (4,6-dichloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is VJLNEEAKLMXGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-18-2-4-19(5-3-18)13(20)12-16-10-7-8(14)6-9(15)11(10)17-12/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of (4,6-dichloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(4,6-dichloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 313.19 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 11609325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).