(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine

C18H18FN3 — CID 92854408

IUPAC(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1[C@H](NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3/c1-22-12-11-20-18(22)17(15-7-9-16(19)10-8-15)21-13-14-5-3-2-4-6-14/h2-12,17,21H,13H2,1H3/t17-/m1/s1
InChIKeyGTPCULMPMMLMND-QGZVFWFLSA-N
MW295.36 g/mol
LogP3.44
Rot. Bonds5

About (1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine

(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 92854408) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is (1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
PubChem CID92854408
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC Name(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1[C@H](NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3/c1-22-12-11-20-18(22)17(15-7-9-16(19)10-8-15)21-13-14-5-3-2-4-6-14/h2-12,17,21H,13H2,1H3/t17-/m1/s1
InChIKeyGTPCULMPMMLMND-QGZVFWFLSA-N
XLogP3.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 47030534
(1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
CID 92854425
N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 166200018
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 95188898
[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105192712
(1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 92854396
(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 94189098
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
(1R)-1-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 94193697
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
(1R)-1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 92854436

Frequently Asked Questions

What is the IUPAC name of (1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of (1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine (CID 92854408) is (1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for (1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for (1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine is Cn1ccnc1[C@H](NCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is GTPCULMPMMLMND-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18FN3/c1-22-12-11-20-18(22)17(15-7-9-16(19)10-8-15)21-13-14-5-3-2-4-6-14/h2-12,17,21H,13H2,1H3/t17-/m1/s1.
What are the key properties of (1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine?
(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 295.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 92854408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).