N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine

C16H10F4N4 — CID 164539998

IUPACN-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFc1cc(Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc2[nH]ccc12
InChIInChI=1S/C16H10F4N4/c17-11-6-9(7-13-10(11)3-4-21-13)22-15-23-12-2-1-8(16(18,19)20)5-14(12)24-15/h1-7,21H,(H2,22,23,24)
InChIKeyPCDLQDQTPKJCDW-UHFFFAOYSA-N
MW334.28 g/mol
LogP4.95
Rot. Bonds2

About N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine

N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 164539998) has the molecular formula C16H10F4N4 and a molecular weight of 334.28 g/mol. Its IUPAC name is N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
PubChem CID164539998
Molecular FormulaC16H10F4N4
Molecular Weight334.28 g/mol
Exact Mass334.08
IUPAC NameN-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFc1cc(Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc2[nH]ccc12
InChIInChI=1S/C16H10F4N4/c17-11-6-9(7-13-10(11)3-4-21-13)22-15-23-12-2-1-8(16(18,19)20)5-14(12)24-15/h1-7,21H,(H2,22,23,24)
InChIKeyPCDLQDQTPKJCDW-UHFFFAOYSA-N
XLogP4.95
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-5,6-difluoro-1H-benzimidazol-2-amine
CID 170765023
N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine
CID 164540030
4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one
CID 135590508
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 122583322
6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile
CID 155412426
5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine
CID 164540014
N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine
CID 164539962
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 69314916
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 161165676
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 24970552

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 164539998) is N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine is Fc1cc(Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc2[nH]ccc12.
What is the InChIKey of N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The InChIKey is PCDLQDQTPKJCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N4/c17-11-6-9(7-13-10(11)3-4-21-13)22-15-23-12-2-1-8(16(18,19)20)5-14(12)24-15/h1-7,21H,(H2,22,23,24).
What are the key properties of N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 334.28 g/mol, XLogP of 4.95, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 164539998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).