N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine

C19H14ClFN4O — CID 71016224

IUPACN-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine
SMILESFCc1cc(Nc2nc3ccc(Oc4ccncc4)cc3[nH]2)ccc1Cl
InChIInChI=1S/C19H14ClFN4O/c20-16-3-1-13(9-12(16)11-21)23-19-24-17-4-2-15(10-18(17)25-19)26-14-5-7-22-8-6-14/h1-10H,11H2,(H2,23,24,25)
InChIKeyGCETWUPWLZDGIM-UHFFFAOYSA-N
MW368.80 g/mol
LogP5.62
Rot. Bonds5

About N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine

N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine (PubChem CID 71016224) has the molecular formula C19H14ClFN4O and a molecular weight of 368.80 g/mol. Its IUPAC name is N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine
PubChem CID71016224
Molecular FormulaC19H14ClFN4O
Molecular Weight368.80 g/mol
Exact Mass368.08
IUPAC NameN-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine
SMILESFCc1cc(Nc2nc3ccc(Oc4ccncc4)cc3[nH]2)ccc1Cl
InChIInChI=1S/C19H14ClFN4O/c20-16-3-1-13(9-12(16)11-21)23-19-24-17-4-2-15(10-18(17)25-19)26-14-5-7-22-8-6-14/h1-10H,11H2,(H2,23,24,25)
InChIKeyGCETWUPWLZDGIM-UHFFFAOYSA-N
XLogP5.62
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.80
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone
CID 118886684
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1H-benzimidazol-2-amine
CID 89375601
4-[[2-[4-chloro-3-(1,1-difluoroethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 142815596
tert-butyl 4-[[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate
CID 69019072
5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
CID 24970680
2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride
CID 24970676
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one
CID 157132919
6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562561
4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
CID 143028856
6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 14666426

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine?
The IUPAC name of N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine (CID 71016224) is N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine?
The canonical SMILES for N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine is FCc1cc(Nc2nc3ccc(Oc4ccncc4)cc3[nH]2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine?
The InChIKey is GCETWUPWLZDGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O/c20-16-3-1-13(9-12(16)11-21)23-19-24-17-4-2-15(10-18(17)25-19)26-14-5-7-22-8-6-14/h1-10H,11H2,(H2,23,24,25).
What are the key properties of N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine?
N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine has a molecular weight of 368.80 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine is sourced from PubChem (CID 71016224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).