5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide

C23H17BrClN5O2 — CID 23849769

IUPAC5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Br)o2)n(-c2nc3ccccc3n2Cc2cccc(Cl)c2)n1
InChIInChI=1S/C23H17BrClN5O2/c1-14-11-21(27-22(31)19-9-10-20(24)32-19)30(28-14)23-26-17-7-2-3-8-18(17)29(23)13-15-5-4-6-16(25)12-15/h2-12H,13H2,1H3,(H,27,31)
InChIKeyHJTYGYYTSPVZMR-UHFFFAOYSA-N
MW510.78 g/mol
LogP5.84
Rot. Bonds5

About 5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide

5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide (PubChem CID 23849769) has the molecular formula C23H17BrClN5O2 and a molecular weight of 510.78 g/mol. Its IUPAC name is 5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide
PubChem CID23849769
Molecular FormulaC23H17BrClN5O2
Molecular Weight510.78 g/mol
Exact Mass509.03
IUPAC Name5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Br)o2)n(-c2nc3ccccc3n2Cc2cccc(Cl)c2)n1
InChIInChI=1S/C23H17BrClN5O2/c1-14-11-21(27-22(31)19-9-10-20(24)32-19)30(28-14)23-26-17-7-2-3-8-18(17)29(23)13-15-5-4-6-16(25)12-15/h2-12H,13H2,1H3,(H,27,31)
InChIKeyHJTYGYYTSPVZMR-UHFFFAOYSA-N
XLogP5.84
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.78
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide (CID 23849769) is 5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(Br)o2)n(-c2nc3ccccc3n2Cc2cccc(Cl)c2)n1.
What is the InChIKey of 5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide?
The InChIKey is HJTYGYYTSPVZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrClN5O2/c1-14-11-21(27-22(31)19-9-10-20(24)32-19)30(28-14)23-26-17-7-2-3-8-18(17)29(23)13-15-5-4-6-16(25)12-15/h2-12H,13H2,1H3,(H,27,31).
What are the key properties of 5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide?
5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide has a molecular weight of 510.78 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 23849769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).