N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine

C22H15FN4 — CID 118710885

IUPACN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine
SMILESFc1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1
InChIInChI=1S/C22H15FN4/c23-15-7-5-14(6-8-15)22-26-20-10-9-16(13-21(20)27-22)25-19-11-12-24-18-4-2-1-3-17(18)19/h1-13H,(H,24,25)(H,26,27)
InChIKeySNUJSWGUUCLHKM-UHFFFAOYSA-N
MW354.39 g/mol
LogP5.66
Rot. Bonds3

About N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine (PubChem CID 118710885) has the molecular formula C22H15FN4 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine
PubChem CID118710885
Molecular FormulaC22H15FN4
Molecular Weight354.39 g/mol
Exact Mass354.13
IUPAC NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine
SMILESFc1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1
InChIInChI=1S/C22H15FN4/c23-15-7-5-14(6-8-15)22-26-20-10-9-16(13-21(20)27-22)25-19-11-12-24-18-4-2-1-3-17(18)19/h1-13H,(H,24,25)(H,26,27)
InChIKeySNUJSWGUUCLHKM-UHFFFAOYSA-N
XLogP5.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.39
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-[4-(quinolin-4-ylamino)phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine
CID 126649657
N-[4-[6-(2-aminopyrimidin-4-yl)oxy-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine
CID 126649648
4-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]anilino]quinoline-6-carboxylic acid
CID 157043847
6-(3-fluoroazetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine
CID 157043355
6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine
CID 157043799
N-[2-(2,5-difluorophenyl)-4-pyridinyl]quinolin-4-amine
CID 164628039
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
4-[4-[6-(pyridin-4-ylamino)-1H-imidazo[4,5-b]pyridin-2-yl]anilino]quinoline-6-carbonitrile
CID 157043317
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664
2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol
CID 60837203
4-(quinolin-4-ylamino)benzonitrile
CID 50877162
ethane;6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-N-[3-[6-(pyridin-4-ylamino)-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine
CID 157043067

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine (CID 118710885) is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine is Fc1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine?
The InChIKey is SNUJSWGUUCLHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4/c23-15-7-5-14(6-8-15)22-26-20-10-9-16(13-21(20)27-22)25-19-11-12-24-18-4-2-1-3-17(18)19/h1-13H,(H,24,25)(H,26,27).
What are the key properties of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine?
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine has a molecular weight of 354.39 g/mol, XLogP of 5.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]quinolin-4-amine is sourced from PubChem (CID 118710885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).