N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine

C23H22ClN3O2 — CID 78870553

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
SMILESCOc1ccccc1C(NCc1ccc(-c2ccccc2Cl)o1)c1nccn1C
InChIInChI=1S/C23H22ClN3O2/c1-27-14-13-25-23(27)22(18-8-4-6-10-20(18)28-2)26-15-16-11-12-21(29-16)17-7-3-5-9-19(17)24/h3-14,22,26H,15H2,1-2H3
InChIKeyCRMYGEIHZUUPBN-UHFFFAOYSA-N
MW407.90 g/mol
LogP5.22
Rot. Bonds7

About N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 78870553) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
PubChem CID78870553
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
SMILESCOc1ccccc1C(NCc1ccc(-c2ccccc2Cl)o1)c1nccn1C
InChIInChI=1S/C23H22ClN3O2/c1-27-14-13-25-23(27)22(18-8-4-6-10-20(18)28-2)26-15-16-11-12-21(29-16)17-7-3-5-9-19(17)24/h3-14,22,26H,15H2,1-2H3
InChIKeyCRMYGEIHZUUPBN-UHFFFAOYSA-N
XLogP5.22
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133467710
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
(1S)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 99777207
N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 86854923
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 78895208
2-chloro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-nitroaniline
CID 25352425
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 82811959
1-(2-chlorophenyl)-1-(2-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 122145179
N-[(5-fluoro-2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82769072
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 41023767

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine (CID 78870553) is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine is COc1ccccc1C(NCc1ccc(-c2ccccc2Cl)o1)c1nccn1C.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is CRMYGEIHZUUPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-27-14-13-25-23(27)22(18-8-4-6-10-20(18)28-2)26-15-16-11-12-21(29-16)17-7-3-5-9-19(17)24/h3-14,22,26H,15H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine?
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 407.90 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 78870553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).