2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine

C17H16FN3 — CID 82067623

IUPAC2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine
SMILESNc1cccc2c1nc(C1CC1)n2Cc1ccccc1F
InChIInChI=1S/C17H16FN3/c18-13-5-2-1-4-12(13)10-21-15-7-3-6-14(19)16(15)20-17(21)11-8-9-11/h1-7,11H,8-10,19H2
InChIKeyADSZHOYEVXETLF-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.68
Rot. Bonds3

About 2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine

2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine (PubChem CID 82067623) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine
PubChem CID82067623
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine
SMILESNc1cccc2c1nc(C1CC1)n2Cc1ccccc1F
InChIInChI=1S/C17H16FN3/c18-13-5-2-1-4-12(13)10-21-15-7-3-6-14(19)16(15)20-17(21)11-8-9-11/h1-7,11H,8-10,19H2
InChIKeyADSZHOYEVXETLF-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.68
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

4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 54920355
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067577
2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine
CID 82067653
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide
CID 82067647
2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole
CID 83420113
2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 18681002
N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067579
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
CID 82067581
2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine
CID 82067737
1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 886688
1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine
CID 60789953
4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629105

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine (CID 82067623) is 2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine is Nc1cccc2c1nc(C1CC1)n2Cc1ccccc1F.
What is the InChIKey of 2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine?
The InChIKey is ADSZHOYEVXETLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c18-13-5-2-1-4-12(13)10-21-15-7-3-6-14(19)16(15)20-17(21)11-8-9-11/h1-7,11H,8-10,19H2.
What are the key properties of 2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine?
2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine has a molecular weight of 281.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine is sourced from PubChem (CID 82067623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).