3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide

C22H26ClN3O4 — CID 60606249

IUPAC3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C22H26ClN3O4/c1-13(2)8-9-30-20-16(23)10-14(11-19(20)29-5)21(27)24-15-6-7-17-18(12-15)26(4)22(28)25(17)3/h6-7,10-13H,8-9H2,1-5H3,(H,24,27)
InChIKeyDSLRQKAUTFMNNA-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.22
Rot. Bonds7

About 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide

3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide (PubChem CID 60606249) has the molecular formula C22H26ClN3O4 and a molecular weight of 431.92 g/mol. Its IUPAC name is 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide
PubChem CID60606249
Molecular FormulaC22H26ClN3O4
Molecular Weight431.92 g/mol
Exact Mass431.16
IUPAC Name3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C22H26ClN3O4/c1-13(2)8-9-30-20-16(23)10-14(11-19(20)29-5)21(27)24-15-6-7-17-18(12-15)26(4)22(28)25(17)3/h6-7,10-13H,8-9H2,1-5H3,(H,24,27)
InChIKeyDSLRQKAUTFMNNA-UHFFFAOYSA-N
XLogP4.22
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521138
3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide
CID 26414165
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide
CID 27167034
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
CID 120568985
N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
CID 119421506
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide;hydrochloride
CID 120508088
[3-chloro-5-methoxy-4-(3-methylbutoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 112759581
[2-(4-acetamidophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate
CID 42487122
1-[4-[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777676
3-[[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249590
N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide
CID 15990247
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide?
The IUPAC name of 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide (CID 60606249) is 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide?
The canonical SMILES for 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide is COc1cc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc(Cl)c1OCCC(C)C.
What is the InChIKey of 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide?
The InChIKey is DSLRQKAUTFMNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4/c1-13(2)8-9-30-20-16(23)10-14(11-19(20)29-5)21(27)24-15-6-7-17-18(12-15)26(4)22(28)25(17)3/h6-7,10-13H,8-9H2,1-5H3,(H,24,27).
What are the key properties of 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide?
3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide has a molecular weight of 431.92 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 60606249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).