1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine

C17H18FN3 — CID 62990352

IUPAC1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2C(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H18FN3/c1-11-3-8-16-15(9-11)20-17(19)21(16)12(2)10-13-4-6-14(18)7-5-13/h3-9,12H,10H2,1-2H3,(H2,19,20)
InChIKeyULVRASBNGOPVDC-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.87
Rot. Bonds3

About 1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine

1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine (PubChem CID 62990352) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine
PubChem CID62990352
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2C(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H18FN3/c1-11-3-8-16-15(9-11)20-17(19)21(16)12(2)10-13-4-6-14(18)7-5-13/h3-9,12H,10H2,1-2H3,(H2,19,20)
InChIKeyULVRASBNGOPVDC-UHFFFAOYSA-N
XLogP3.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine?
The IUPAC name of 1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine (CID 62990352) is 1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine?
The canonical SMILES for 1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine is Cc1ccc2c(c1)nc(N)n2C(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine?
The InChIKey is ULVRASBNGOPVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-11-3-8-16-15(9-11)20-17(19)21(16)12(2)10-13-4-6-14(18)7-5-13/h3-9,12H,10H2,1-2H3,(H2,19,20).
What are the key properties of 1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine?
1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine has a molecular weight of 283.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine is sourced from PubChem (CID 62990352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).