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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Related Compounds

(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine
CID 99626012
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 24715628
N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine
CID 133324119
1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 135256386
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine
CID 19772037
1-[(1-benzylimidazol-2-yl)methyl]-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine
CID 111794142
1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106895187
1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 43768785
(1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 95598748
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
1-[(1-benzylimidazol-2-yl)methyl]-3-[3-(4-fluorophenyl)sulfanylpropyl]-2-methylguanidine
CID 111795487

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).