1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine

C17H18FN3 — CID 62812258

IUPAC1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCc1cc(-n2c(C(C)C)nc3cc(N)ccc32)ccc1F
InChIInChI=1S/C17H18FN3/c1-10(2)17-20-15-9-12(19)4-7-16(15)21(17)13-5-6-14(18)11(3)8-13/h4-10H,19H2,1-3H3
InChIKeyZMKBDZVXMFDGBY-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.18
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine

1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine (PubChem CID 62812258) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine
PubChem CID62812258
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCc1cc(-n2c(C(C)C)nc3cc(N)ccc32)ccc1F
InChIInChI=1S/C17H18FN3/c1-10(2)17-20-15-9-12(19)4-7-16(15)21(17)13-5-6-14(18)11(3)8-13/h4-10H,19H2,1-3H3
InChIKeyZMKBDZVXMFDGBY-UHFFFAOYSA-N
XLogP4.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethylphenyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63496499
1-(2,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63497400
1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol
CID 62594144
1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol
CID 62596546
1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine
CID 82803563
2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)benzonitrile
CID 62508152
5-methyl-1-phenyl-2-propan-2-ylbenzimidazole
CID 70987216
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
CID 55080306
1-(4-fluoro-3-methylphenyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858713
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
2-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazol-5-amine
CID 106216601

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine (CID 62812258) is 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine is Cc1cc(-n2c(C(C)C)nc3cc(N)ccc32)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine?
The InChIKey is ZMKBDZVXMFDGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-10(2)17-20-15-9-12(19)4-7-16(15)21(17)13-5-6-14(18)11(3)8-13/h4-10H,19H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine?
1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine has a molecular weight of 283.35 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 62812258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).