5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide

C20H20ClN5O2 — CID 19579294

IUPAC5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide
SMILESCCn1c(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)nc2ccccc21
InChIInChI=1S/C20H20ClN5O2/c1-4-25-16-8-6-5-7-15(16)22-20(25)23-19(27)17-10-9-14(28-17)11-26-13(3)18(21)12(2)24-26/h5-10H,4,11H2,1-3H3,(H,22,23,27)
InChIKeyZVNGKEZIKKZSMR-UHFFFAOYSA-N
MW397.87 g/mol
LogP4.42
Rot. Bonds5

About 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide (PubChem CID 19579294) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide
PubChem CID19579294
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide
SMILESCCn1c(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)nc2ccccc21
InChIInChI=1S/C20H20ClN5O2/c1-4-25-16-8-6-5-7-15(16)22-20(25)23-19(27)17-10-9-14(28-17)11-26-13(3)18(21)12(2)24-26/h5-10H,4,11H2,1-3H3,(H,22,23,27)
InChIKeyZVNGKEZIKKZSMR-UHFFFAOYSA-N
XLogP4.42
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide (CID 19579294) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide is CCn1c(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)nc2ccccc21.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide?
The InChIKey is ZVNGKEZIKKZSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-4-25-16-8-6-5-7-15(16)22-20(25)23-19(27)17-10-9-14(28-17)11-26-13(3)18(21)12(2)24-26/h5-10H,4,11H2,1-3H3,(H,22,23,27).
What are the key properties of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide?
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide has a molecular weight of 397.87 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethylbenzimidazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 19579294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).