N-[(4-fluoro-2,6-dimethylphenyl)methyl]-2,2-dimethylbenzimidazol-4-amine

C18H20FN3 — CID 86758570

IUPACN-[(4-fluoro-2,6-dimethylphenyl)methyl]-2,2-dimethylbenzimidazol-4-amine
SMILESCc1cc(F)cc(C)c1CNc1cccc2c1=NC(C)(C)N=2
InChIInChI=1S/C18H20FN3/c1-11-8-13(19)9-12(2)14(11)10-20-15-6-5-7-16-17(15)22-18(3,4)21-16/h5-9,20H,10H2,1-4H3
InChIKeyYKWYIIPDOYMUHQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.04
Rot. Bonds3

About N-[(4-fluoro-2,6-dimethylphenyl)methyl]-2,2-dimethylbenzimidazol-4-amine

N-[(4-fluoro-2,6-dimethylphenyl)methyl]-2,2-dimethylbenzimidazol-4-amine (PubChem CID 86758570) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(4-fluoro-2,6-dimethylphenyl)methyl]-2,2-dimethylbenzimidazol-4-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2,6-dimethylphenyl)methyl]-2,2-dimethylbenzimidazol-4-amine
PubChem CID86758570
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC NameN-[(4-fluoro-2,6-dimethylphenyl)methyl]-2,2-dimethylbenzimidazol-4-amine
SMILESCc1cc(F)cc(C)c1CNc1cccc2c1=NC(C)(C)N=2
InChIInChI=1S/C18H20FN3/c1-11-8-13(19)9-12(2)14(11)10-20-15-6-5-7-16-17(15)22-18(3,4)21-16/h5-9,20H,10H2,1-4H3
InChIKeyYKWYIIPDOYMUHQ-UHFFFAOYSA-N
XLogP3.04
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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US10611730, Example 157
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5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methyl-5,6-dihydro-1H-cyclopenta[b]pyrazine
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2-methyl-N-[[3-[C-methyl-N-[(4E)-3,6,7-trimethylidene-5-(trifluoromethyl)deca-1,4,8-trien-2-yl]carbonimidoyl]phenyl]methyl]propan-1-amine
CID 123297049
N-[(2E)-2-[(4Z)-6-(5-fluoro-2-methylphenyl)-2-methyl-4-[(methylideneamino)methylidene]-3-pyridinylidene]ethyl]pent-1-en-2-amine
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(1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine
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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)methyl]-2,2-dimethylbenzimidazol-4-amine?
The IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)methyl]-2,2-dimethylbenzimidazol-4-amine (CID 86758570) is N-[(4-fluoro-2,6-dimethylphenyl)methyl]-2,2-dimethylbenzimidazol-4-amine.
What is the SMILES notation for N-[(4-fluoro-2,6-dimethylphenyl)methyl]-2,2-dimethylbenzimidazol-4-amine?
The canonical SMILES for N-[(4-fluoro-2,6-dimethylphenyl)methyl]-2,2-dimethylbenzimidazol-4-amine is Cc1cc(F)cc(C)c1CNc1cccc2c1=NC(C)(C)N=2.
What is the InChIKey of N-[(4-fluoro-2,6-dimethylphenyl)methyl]-2,2-dimethylbenzimidazol-4-amine?
The InChIKey is YKWYIIPDOYMUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3/c1-11-8-13(19)9-12(2)14(11)10-20-15-6-5-7-16-17(15)22-18(3,4)21-16/h5-9,20H,10H2,1-4H3.
What are the key properties of N-[(4-fluoro-2,6-dimethylphenyl)methyl]-2,2-dimethylbenzimidazol-4-amine?
N-[(4-fluoro-2,6-dimethylphenyl)methyl]-2,2-dimethylbenzimidazol-4-amine has a molecular weight of 297.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2,6-dimethylphenyl)methyl]-2,2-dimethylbenzimidazol-4-amine is sourced from PubChem (CID 86758570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).