N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine

C22H24ClN5O — CID 16676927

IUPACN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cn[nH]c2-c2ccc(Cl)cc2)o1
InChIInChI=1S/C22H24ClN5O/c1-17-3-8-21(29-17)15-28(11-2-10-27-12-9-24-16-27)14-19-13-25-26-22(19)18-4-6-20(23)7-5-18/h3-9,12-13,16H,2,10-11,14-15H2,1H3,(H,25,26)
InChIKeyVWNWJTJYYLRLPP-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.92
Rot. Bonds9

About N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine

N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 16676927) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID16676927
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC NameN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cn[nH]c2-c2ccc(Cl)cc2)o1
InChIInChI=1S/C22H24ClN5O/c1-17-3-8-21(29-17)15-28(11-2-10-27-12-9-24-16-27)14-19-13-25-26-22(19)18-4-6-20(23)7-5-18/h3-9,12-13,16H,2,10-11,14-15H2,1H3,(H,25,26)
InChIKeyVWNWJTJYYLRLPP-UHFFFAOYSA-N
XLogP4.92
TPSA62.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine (CID 16676927) is N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine is Cc1ccc(CN(CCCn2ccnc2)Cc2cn[nH]c2-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is VWNWJTJYYLRLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c1-17-3-8-21(29-17)15-28(11-2-10-27-12-9-24-16-27)14-19-13-25-26-22(19)18-4-6-20(23)7-5-18/h3-9,12-13,16H,2,10-11,14-15H2,1H3,(H,25,26).
What are the key properties of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 409.92 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 16676927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).