1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine

C20H14Cl2N6 — CID 14688884

IUPAC1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
SMILESClc1ccc2nc(Nc3ccc(Nc4nc5ccc(Cl)cc5[nH]4)cc3)[nH]c2c1
InChIInChI=1S/C20H14Cl2N6/c21-11-1-7-15-17(9-11)27-19(25-15)23-13-3-5-14(6-4-13)24-20-26-16-8-2-12(22)10-18(16)28-20/h1-10H,(H2,23,25,27)(H2,24,26,28)
InChIKeyCWLWFAUNLPCADM-UHFFFAOYSA-N
MW409.28 g/mol
LogP6.23
Rot. Bonds4

About 1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine

1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine (PubChem CID 14688884) has the molecular formula C20H14Cl2N6 and a molecular weight of 409.28 g/mol. Its IUPAC name is 1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
PubChem CID14688884
Molecular FormulaC20H14Cl2N6
Molecular Weight409.28 g/mol
Exact Mass408.07
IUPAC Name1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
SMILESClc1ccc2nc(Nc3ccc(Nc4nc5ccc(Cl)cc5[nH]4)cc3)[nH]c2c1
InChIInChI=1S/C20H14Cl2N6/c21-11-1-7-15-17(9-11)27-19(25-15)23-13-3-5-14(6-4-13)24-20-26-16-8-2-12(22)10-18(16)28-20/h1-10H,(H2,23,25,27)(H2,24,26,28)
InChIKeyCWLWFAUNLPCADM-UHFFFAOYSA-N
XLogP6.23
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.28
LogP ≤ 56.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine (CID 14688884) is 1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine is Clc1ccc2nc(Nc3ccc(Nc4nc5ccc(Cl)cc5[nH]4)cc3)[nH]c2c1.
What is the InChIKey of 1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine?
The InChIKey is CWLWFAUNLPCADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N6/c21-11-1-7-15-17(9-11)27-19(25-15)23-13-3-5-14(6-4-13)24-20-26-16-8-2-12(22)10-18(16)28-20/h1-10H,(H2,23,25,27)(H2,24,26,28).
What are the key properties of 1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine?
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine has a molecular weight of 409.28 g/mol, XLogP of 6.23, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 14688884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).