N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine

C23H25FN4O — CID 16677116

IUPACN-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cccn2-c2cccc(F)c2)o1
InChIInChI=1S/C23H25FN4O/c1-19-8-9-23(29-19)17-27(12-4-11-26-14-10-25-18-26)16-22-7-3-13-28(22)21-6-2-5-20(24)15-21/h2-3,5-10,13-15,18H,4,11-12,16-17H2,1H3
InChIKeyRDMWJYMFDPTZEM-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.81
Rot. Bonds9

About N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine

N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 16677116) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID16677116
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cccn2-c2cccc(F)c2)o1
InChIInChI=1S/C23H25FN4O/c1-19-8-9-23(29-19)17-27(12-4-11-26-14-10-25-18-26)16-22-7-3-13-28(22)21-6-2-5-20(24)15-21/h2-3,5-10,13-15,18H,4,11-12,16-17H2,1H3
InChIKeyRDMWJYMFDPTZEM-UHFFFAOYSA-N
XLogP4.81
TPSA39.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine (CID 16677116) is N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine is Cc1ccc(CN(CCCn2ccnc2)Cc2cccn2-c2cccc(F)c2)o1.
What is the InChIKey of N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is RDMWJYMFDPTZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-19-8-9-23(29-19)17-27(12-4-11-26-14-10-25-18-26)16-22-7-3-13-28(22)21-6-2-5-20(24)15-21/h2-3,5-10,13-15,18H,4,11-12,16-17H2,1H3.
What are the key properties of N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 392.48 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 16677116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).