3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline

C17H16FN3 — CID 54595254

IUPAC3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
SMILESCc1c(N)cccc1-c1nc2cc(F)ccc2n1C1CC1
InChIInChI=1S/C17H16FN3/c1-10-13(3-2-4-14(10)19)17-20-15-9-11(18)5-8-16(15)21(17)12-6-7-12/h2-5,8-9,12H,6-7,19H2,1H3
InChIKeyFFUZYZQMTNXXPY-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.07
Rot. Bonds2

About 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline

3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline (PubChem CID 54595254) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline.

Molecular Properties

Compound Name3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
PubChem CID54595254
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
SMILESCc1c(N)cccc1-c1nc2cc(F)ccc2n1C1CC1
InChIInChI=1S/C17H16FN3/c1-10-13(3-2-4-14(10)19)17-20-15-9-11(18)5-8-16(15)21(17)12-6-7-12/h2-5,8-9,12H,6-7,19H2,1H3
InChIKeyFFUZYZQMTNXXPY-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.07
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

3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60785646
5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
CID 107811484
4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79397633
2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline
CID 107812783
3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol
CID 82809543
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62946745
2-(5-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783742
1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 60784858
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 63494896
[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine
CID 114324618
5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine
CID 63546950

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline?
The IUPAC name of 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline (CID 54595254) is 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline.
What is the SMILES notation for 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline?
The canonical SMILES for 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline is Cc1c(N)cccc1-c1nc2cc(F)ccc2n1C1CC1.
What is the InChIKey of 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline?
The InChIKey is FFUZYZQMTNXXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-10-13(3-2-4-14(10)19)17-20-15-9-11(18)5-8-16(15)21(17)12-6-7-12/h2-5,8-9,12H,6-7,19H2,1H3.
What are the key properties of 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline?
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline has a molecular weight of 281.33 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline is sourced from PubChem (CID 54595254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).