N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine

C21H22FN3 — CID 71931133

IUPACN-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(C(NCc2nccn2Cc2ccccc2)C2CC2)cc1
InChIInChI=1S/C21H22FN3/c22-19-10-8-18(9-11-19)21(17-6-7-17)24-14-20-23-12-13-25(20)15-16-4-2-1-3-5-16/h1-5,8-13,17,21,24H,6-7,14-15H2
InChIKeyMRIXEXUBXFYROR-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.31
Rot. Bonds7

About N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine

N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine (PubChem CID 71931133) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
PubChem CID71931133
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(C(NCc2nccn2Cc2ccccc2)C2CC2)cc1
InChIInChI=1S/C21H22FN3/c22-19-10-8-18(9-11-19)21(17-6-7-17)24-14-20-23-12-13-25(20)15-16-4-2-1-3-5-16/h1-5,8-13,17,21,24H,6-7,14-15H2
InChIKeyMRIXEXUBXFYROR-UHFFFAOYSA-N
XLogP4.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine (CID 71931133) is N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine is Fc1ccc(C(NCc2nccn2Cc2ccccc2)C2CC2)cc1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine?
The InChIKey is MRIXEXUBXFYROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3/c22-19-10-8-18(9-11-19)21(17-6-7-17)24-14-20-23-12-13-25(20)15-16-4-2-1-3-5-16/h1-5,8-13,17,21,24H,6-7,14-15H2.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine?
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine has a molecular weight of 335.43 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 71931133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).