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

C16H16FN3 — CID 43661501

IUPAC1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2CCc1ccc(F)cc1
InChIInChI=1S/C16H16FN3/c1-11-2-7-15-14(10-11)19-16(18)20(15)9-8-12-3-5-13(17)6-4-12/h2-7,10H,8-9H2,1H3,(H2,18,19)
InChIKeyRFEWPYMFVXJIDL-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.31
Rot. Bonds3

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

1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine (PubChem CID 43661501) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
PubChem CID43661501
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2CCc1ccc(F)cc1
InChIInChI=1S/C16H16FN3/c1-11-2-7-15-14(10-11)19-16(18)20(15)9-8-12-3-5-13(17)6-4-12/h2-7,10H,8-9H2,1H3,(H2,18,19)
InChIKeyRFEWPYMFVXJIDL-UHFFFAOYSA-N
XLogP3.31
TPSA43.84 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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
CID 43662152
5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine
CID 66078679
1-(2-aminoethyl)-5-methylbenzimidazol-2-amine
CID 84771588
6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
CID 66099992
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine
CID 62990352
1-[2-(3,5-difluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
CID 66082390
5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine
CID 62616840
5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide
CID 106239939
1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine
CID 21484264
5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine
CID 54951144
5-methyl-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 43661563

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine (CID 43661501) is 1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine is Cc1ccc2c(c1)nc(N)n2CCc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine?
The InChIKey is RFEWPYMFVXJIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-11-2-7-15-14(10-11)19-16(18)20(15)9-8-12-3-5-13(17)6-4-12/h2-7,10H,8-9H2,1H3,(H2,18,19).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine?
1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine has a molecular weight of 269.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine is sourced from PubChem (CID 43661501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).