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

C18H14ClN5O2 — CID 3149473

IUPACN-[4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C18H14ClN5O2/c1-11(25)20-17-16(22-26-23-17)18-21-14-8-4-5-9-15(14)24(18)10-12-6-2-3-7-13(12)19/h2-9H,10H2,1H3,(H,20,23,25)
InChIKeySZHPHAFNBHMVCL-UHFFFAOYSA-N
MW367.80 g/mol
LogP3.75
Rot. Bonds4

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

N-[4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 3149473) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is N-[4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID3149473
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC NameN-[4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C18H14ClN5O2/c1-11(25)20-17-16(22-26-23-17)18-21-14-8-4-5-9-15(14)24(18)10-12-6-2-3-7-13(12)19/h2-9H,10H2,1H3,(H,20,23,25)
InChIKeySZHPHAFNBHMVCL-UHFFFAOYSA-N
XLogP3.75
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
CID 56694854
N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
CID 1280079
N-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide
CID 1080256
2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 594100
N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide
CID 10215170
2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
N-[4-(2-chlorophenyl)-1,2,5-oxadiazol-3-yl]acetamide
CID 158160308
(E)-3-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10431295
3-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 85141126
1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243205
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006374

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide (CID 3149473) is N-[4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide is CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of N-[4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is SZHPHAFNBHMVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c1-11(25)20-17-16(22-26-23-17)18-21-14-8-4-5-9-15(14)24(18)10-12-6-2-3-7-13(12)19/h2-9H,10H2,1H3,(H,20,23,25).
What are the key properties of N-[4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
N-[4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 367.80 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 3149473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).