N-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine

C16H16FN3 — CID 123962648

IUPACN-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine
SMILESCCNc1nc2ccc(F)c(C)c2n1-c1ccccc1
InChIInChI=1S/C16H16FN3/c1-3-18-16-19-14-10-9-13(17)11(2)15(14)20(16)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyBVHJALIWTWZPJA-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.90
Rot. Bonds3

About N-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine

N-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine (PubChem CID 123962648) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is N-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine
PubChem CID123962648
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC NameN-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine
SMILESCCNc1nc2ccc(F)c(C)c2n1-c1ccccc1
InChIInChI=1S/C16H16FN3/c1-3-18-16-19-14-10-9-13(17)11(2)15(14)20(16)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyBVHJALIWTWZPJA-UHFFFAOYSA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine?
The IUPAC name of N-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine (CID 123962648) is N-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine.
What is the SMILES notation for N-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine?
The canonical SMILES for N-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine is CCNc1nc2ccc(F)c(C)c2n1-c1ccccc1.
What is the InChIKey of N-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine?
The InChIKey is BVHJALIWTWZPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-3-18-16-19-14-10-9-13(17)11(2)15(14)20(16)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of N-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine?
N-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine has a molecular weight of 269.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine is sourced from PubChem (CID 123962648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).