N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide

C22H17N5O2 — CID 52692587

IUPACN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C22H17N5O2/c28-22(16-6-4-15(5-7-16)14-27-11-2-10-23-27)24-17-8-9-18-19(13-17)26-21(25-18)20-3-1-12-29-20/h1-13H,14H2,(H,24,28)(H,25,26)
InChIKeyKESZAXCGKDXUJQ-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.32
Rot. Bonds5

About N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide

N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 52692587) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID52692587
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC NameN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C22H17N5O2/c28-22(16-6-4-15(5-7-16)14-27-11-2-10-23-27)24-17-8-9-18-19(13-17)26-21(25-18)20-3-1-12-29-20/h1-13H,14H2,(H,24,28)(H,25,26)
InChIKeyKESZAXCGKDXUJQ-UHFFFAOYSA-N
XLogP4.32
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55863771
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-5-nitrofuran-2-carboxamide
CID 60557174
N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 86921797
4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide
CID 47067261
3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide
CID 60526245
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-6-methylpyridazine-4-carboxamide
CID 99790473
N-[4-(1,3-oxazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 78890208
4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide
CID 55946378
N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419
methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate
CID 86795214
4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 175249041
2-(2-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 155963168

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide (CID 52692587) is N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide is O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is KESZAXCGKDXUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c28-22(16-6-4-15(5-7-16)14-27-11-2-10-23-27)24-17-8-9-18-19(13-17)26-21(25-18)20-3-1-12-29-20/h1-13H,14H2,(H,24,28)(H,25,26).
What are the key properties of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide?
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 383.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 52692587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).