N-(4-fluoro-3-propan-2-ylphenyl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine

C22H21FN4O — CID 123331528

IUPACN-(4-fluoro-3-propan-2-ylphenyl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine
SMILESCC(C)c1cc(Nc2nc3cc(Oc4ccncc4)ccc3n2C)ccc1F
InChIInChI=1S/C22H21FN4O/c1-14(2)18-12-15(4-6-19(18)23)25-22-26-20-13-17(5-7-21(20)27(22)3)28-16-8-10-24-11-9-16/h4-14H,1-3H3,(H,25,26)
InChIKeyJMGPTCRUFSTSHN-UHFFFAOYSA-N
MW376.44 g/mol
LogP5.77
Rot. Bonds5

About N-(4-fluoro-3-propan-2-ylphenyl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine

N-(4-fluoro-3-propan-2-ylphenyl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine (PubChem CID 123331528) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(4-fluoro-3-propan-2-ylphenyl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-propan-2-ylphenyl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine
PubChem CID123331528
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-(4-fluoro-3-propan-2-ylphenyl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine
SMILESCC(C)c1cc(Nc2nc3cc(Oc4ccncc4)ccc3n2C)ccc1F
InChIInChI=1S/C22H21FN4O/c1-14(2)18-12-15(4-6-19(18)23)25-22-26-20-13-17(5-7-21(20)27(22)3)28-16-8-10-24-11-9-16/h4-14H,1-3H3,(H,25,26)
InChIKeyJMGPTCRUFSTSHN-UHFFFAOYSA-N
XLogP5.77
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.44
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10366136
Raf265
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Omeprazole sulfenamide
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ZK-806711
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1-(2-fluoro-4-((5-methyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15949613
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
dimethyl({3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propyl})amine
CID 5328507
dimethyl({4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butyl})amine
CID 5328508
5-methoxy-6-methyl-1-phenyl-1H-1,3-benzodiazole
CID 5328528
Benzimidazole deriv. 5
CID 5329405
2,4-Disubstituted Pyrimidine 2f
CID 5329419
CP-673451
CID 10158940

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-propan-2-ylphenyl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine?
The IUPAC name of N-(4-fluoro-3-propan-2-ylphenyl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine (CID 123331528) is N-(4-fluoro-3-propan-2-ylphenyl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine.
What is the SMILES notation for N-(4-fluoro-3-propan-2-ylphenyl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine?
The canonical SMILES for N-(4-fluoro-3-propan-2-ylphenyl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine is CC(C)c1cc(Nc2nc3cc(Oc4ccncc4)ccc3n2C)ccc1F.
What is the InChIKey of N-(4-fluoro-3-propan-2-ylphenyl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine?
The InChIKey is JMGPTCRUFSTSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-14(2)18-12-15(4-6-19(18)23)25-22-26-20-13-17(5-7-21(20)27(22)3)28-16-8-10-24-11-9-16/h4-14H,1-3H3,(H,25,26).
What are the key properties of N-(4-fluoro-3-propan-2-ylphenyl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine?
N-(4-fluoro-3-propan-2-ylphenyl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine has a molecular weight of 376.44 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-propan-2-ylphenyl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine is sourced from PubChem (CID 123331528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).