5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine

C15H9Cl2FN4 — CID 164540014

IUPAC5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine
SMILESFc1c[nH]c2cc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)ccc12
InChIInChI=1S/C15H9Cl2FN4/c16-9-4-13-14(5-10(9)17)22-15(21-13)20-7-1-2-8-11(18)6-19-12(8)3-7/h1-6,19H,(H2,20,21,22)
InChIKeyXZVLOMRXWMFNQY-UHFFFAOYSA-N
MW335.17 g/mol
LogP5.23
Rot. Bonds2

About 5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine

5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine (PubChem CID 164540014) has the molecular formula C15H9Cl2FN4 and a molecular weight of 335.17 g/mol. Its IUPAC name is 5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine
PubChem CID164540014
Molecular FormulaC15H9Cl2FN4
Molecular Weight335.17 g/mol
Exact Mass334.02
IUPAC Name5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine
SMILESFc1c[nH]c2cc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)ccc12
InChIInChI=1S/C15H9Cl2FN4/c16-9-4-13-14(5-10(9)17)22-15(21-13)20-7-1-2-8-11(18)6-19-12(8)3-7/h1-6,19H,(H2,20,21,22)
InChIKeyXZVLOMRXWMFNQY-UHFFFAOYSA-N
XLogP5.23
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.17
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
CID 24970680
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride
CID 24970676
N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 164539998
6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 24970552
7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one
CID 162391536
N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
CID 126502975
N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine
CID 170765023
N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide
CID 82562667
N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 45137009
N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine
CID 164540030
N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine
CID 164539962

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine?
The IUPAC name of 5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine (CID 164540014) is 5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for 5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine is Fc1c[nH]c2cc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)ccc12.
What is the InChIKey of 5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine?
The InChIKey is XZVLOMRXWMFNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN4/c16-9-4-13-14(5-10(9)17)22-15(21-13)20-7-1-2-8-11(18)6-19-12(8)3-7/h1-6,19H,(H2,20,21,22).
What are the key properties of 5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine?
5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine has a molecular weight of 335.17 g/mol, XLogP of 5.23, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 164540014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).