N-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide

C23H17N5O2 — CID 10524731

IUPACN-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nnc(-c3ccccc3-c3nc4ccccc4[nH]3)o2)c1
InChIInChI=1S/C23H17N5O2/c1-14-7-6-8-15(13-14)21(29)26-23-28-27-22(30-23)17-10-3-2-9-16(17)20-24-18-11-4-5-12-19(18)25-20/h2-13H,1H3,(H,24,25)(H,26,28,29)
InChIKeyNIEFCIKASWNOFO-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.84
Rot. Bonds4

About N-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide

N-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide (PubChem CID 10524731) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
PubChem CID10524731
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC NameN-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nnc(-c3ccccc3-c3nc4ccccc4[nH]3)o2)c1
InChIInChI=1S/C23H17N5O2/c1-14-7-6-8-15(13-14)21(29)26-23-28-27-22(30-23)17-10-3-2-9-16(17)20-24-18-11-4-5-12-19(18)25-20/h2-13H,1H3,(H,24,25)(H,26,28,29)
InChIKeyNIEFCIKASWNOFO-UHFFFAOYSA-N
XLogP4.84
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-3-methylbenzamide
CID 58191602
3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686300
3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45021441
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 7533241
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide
CID 16821846
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide
CID 5159784
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 16854802
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide?
The IUPAC name of N-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide (CID 10524731) is N-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2nnc(-c3ccccc3-c3nc4ccccc4[nH]3)o2)c1.
What is the InChIKey of N-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide?
The InChIKey is NIEFCIKASWNOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c1-14-7-6-8-15(13-14)21(29)26-23-28-27-22(30-23)17-10-3-2-9-16(17)20-24-18-11-4-5-12-19(18)25-20/h2-13H,1H3,(H,24,25)(H,26,28,29).
What are the key properties of N-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide?
N-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide has a molecular weight of 395.42 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide is sourced from PubChem (CID 10524731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).