3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide

C20H16Cl2N4O2 — CID 55572437

IUPAC3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1nc2ccccc2n1C
InChIInChI=1S/C20H16Cl2N4O2/c1-11-17(19(25-28-11)18-12(21)6-5-7-13(18)22)20(27)23-10-16-24-14-8-3-4-9-15(14)26(16)2/h3-9H,10H2,1-2H3,(H,23,27)
InChIKeyPWUHALLHSMEJKJ-UHFFFAOYSA-N
MW415.28 g/mol
LogP4.77
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide

3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 55572437) has the molecular formula C20H16Cl2N4O2 and a molecular weight of 415.28 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID55572437
Molecular FormulaC20H16Cl2N4O2
Molecular Weight415.28 g/mol
Exact Mass414.07
IUPAC Name3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1nc2ccccc2n1C
InChIInChI=1S/C20H16Cl2N4O2/c1-11-17(19(25-28-11)18-12(21)6-5-7-13(18)22)20(27)23-10-16-24-14-8-3-4-9-15(14)26(16)2/h3-9H,10H2,1-2H3,(H,23,27)
InChIKeyPWUHALLHSMEJKJ-UHFFFAOYSA-N
XLogP4.77
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
N-[(2-bromophenyl)methyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 46232351
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209694
3-(2,6-dichlorophenyl)-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
CID 718172
5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide
CID 47010120
3-(2,6-dichlorophenyl)-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 86836013
3-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 986975
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
3-(2,6-dichlorophenyl)-N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1008270
3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide
CID 3360708
3-(2,6-dichlorophenyl)-N-[2-[4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4576801
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 60516631

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide (CID 55572437) is 3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1nc2ccccc2n1C.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is PWUHALLHSMEJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O2/c1-11-17(19(25-28-11)18-12(21)6-5-7-13(18)22)20(27)23-10-16-24-14-8-3-4-9-15(14)26(16)2/h3-9H,10H2,1-2H3,(H,23,27).
What are the key properties of 3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 415.28 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 55572437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).