N-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide

C20H19N5O2 — CID 1080256

IUPACN-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide
SMILESCCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1C
InChIInChI=1S/C20H19N5O2/c1-3-17(26)22-19-18(23-27-24-19)20-21-15-10-6-7-11-16(15)25(20)12-14-9-5-4-8-13(14)2/h4-11H,3,12H2,1-2H3,(H,22,24,26)
InChIKeyDYWAOOZSEIOJAE-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.79
Rot. Bonds5

About N-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide

N-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide (PubChem CID 1080256) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide
PubChem CID1080256
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide
SMILESCCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1C
InChIInChI=1S/C20H19N5O2/c1-3-17(26)22-19-18(23-27-24-19)20-21-15-10-6-7-11-16(15)25(20)12-14-9-5-4-8-13(14)2/h4-11H,3,12H2,1-2H3,(H,22,24,26)
InChIKeyDYWAOOZSEIOJAE-UHFFFAOYSA-N
XLogP3.79
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
CID 3149473
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CID 56694854
N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
CID 1280079
N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide
CID 10215170
N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]propanamide
CID 70905959
1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
CID 1320430
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969021
2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 594100
2-(5-methylfuran-2-yl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 129161859
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
CID 1018254
2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 1299946
4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]aniline
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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide?
The IUPAC name of N-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide (CID 1080256) is N-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide.
What is the SMILES notation for N-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide?
The canonical SMILES for N-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide is CCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1C.
What is the InChIKey of N-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide?
The InChIKey is DYWAOOZSEIOJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-3-17(26)22-19-18(23-27-24-19)20-21-15-10-6-7-11-16(15)25(20)12-14-9-5-4-8-13(14)2/h4-11H,3,12H2,1-2H3,(H,22,24,26).
What are the key properties of N-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide?
N-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide has a molecular weight of 361.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 1080256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).