5-(4-chlorophenyl)-N-[[5-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]-1H-pyrrole-2-carboxamide

C21H19ClN4O2 — CID 118970370

IUPAC5-(4-chlorophenyl)-N-[[5-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1nccn1Cc1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)o1
InChIInChI=1S/C21H19ClN4O2/c1-14-23-10-11-26(14)13-18-7-6-17(28-18)12-24-21(27)20-9-8-19(25-20)15-2-4-16(22)5-3-15/h2-11,25H,12-13H2,1H3,(H,24,27)
InChIKeyZNKUEAXXGPTTPC-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.41
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[[5-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]-1H-pyrrole-2-carboxamide

5-(4-chlorophenyl)-N-[[5-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 118970370) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[[5-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[[5-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID118970370
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name5-(4-chlorophenyl)-N-[[5-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1nccn1Cc1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)o1
InChIInChI=1S/C21H19ClN4O2/c1-14-23-10-11-26(14)13-18-7-6-17(28-18)12-24-21(27)20-9-8-19(25-20)15-2-4-16(22)5-3-15/h2-11,25H,12-13H2,1H3,(H,24,27)
InChIKeyZNKUEAXXGPTTPC-UHFFFAOYSA-N
XLogP4.41
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[[5-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[[5-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]-1H-pyrrole-2-carboxamide (CID 118970370) is 5-(4-chlorophenyl)-N-[[5-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[[5-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[[5-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]-1H-pyrrole-2-carboxamide is Cc1nccn1Cc1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[[5-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ZNKUEAXXGPTTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-14-23-10-11-26(14)13-18-7-6-17(28-18)12-24-21(27)20-9-8-19(25-20)15-2-4-16(22)5-3-15/h2-11,25H,12-13H2,1H3,(H,24,27).
What are the key properties of 5-(4-chlorophenyl)-N-[[5-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]-1H-pyrrole-2-carboxamide?
5-(4-chlorophenyl)-N-[[5-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[[5-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118970370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).