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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Related Compounds

6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 24970552
6-chloro-N-(5-chloro-2-methylphenyl)-1H-benzimidazol-2-amine
CID 82562664
N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide
CID 82562667
6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine
CID 82563483
N-tert-butyl-6-chloro-1H-benzimidazol-2-amine
CID 119086306
5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
CID 24970680
6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708
2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride
CID 24970676
6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 14666426
N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-chloro-1H-benzimidazol-2-amine
CID 156865294
3,7-dichloro-1H-quinoxalin-2-one
CID 131843116
6-chloro-N-(2-phenylethyl)-1H-benzimidazol-2-amine
CID 45021337

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).