N-(3-methylbenzimidazol-5-yl)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide

C20H19N5O3 — CID 46975706

IUPACN-(3-methylbenzimidazol-5-yl)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
SMILESCc1nc2cc3c(cc2n1CC(=O)Nc1ccc2ncn(C)c2c1)OCCO3
InChIInChI=1S/C20H19N5O3/c1-12-22-15-8-18-19(28-6-5-27-18)9-17(15)25(12)10-20(26)23-13-3-4-14-16(7-13)24(2)11-21-14/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,23,26)
InChIKeyXTHOHNANCCWSMF-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.64
Rot. Bonds3

About N-(3-methylbenzimidazol-5-yl)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide

N-(3-methylbenzimidazol-5-yl)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide (PubChem CID 46975706) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(3-methylbenzimidazol-5-yl)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbenzimidazol-5-yl)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
PubChem CID46975706
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-(3-methylbenzimidazol-5-yl)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
SMILESCc1nc2cc3c(cc2n1CC(=O)Nc1ccc2ncn(C)c2c1)OCCO3
InChIInChI=1S/C20H19N5O3/c1-12-22-15-8-18-19(28-6-5-27-18)9-17(15)25(12)10-20(26)23-13-3-4-14-16(7-13)24(2)11-21-14/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,23,26)
InChIKeyXTHOHNANCCWSMF-UHFFFAOYSA-N
XLogP2.64
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbenzimidazol-5-yl)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide?
The IUPAC name of N-(3-methylbenzimidazol-5-yl)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide (CID 46975706) is N-(3-methylbenzimidazol-5-yl)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide.
What is the SMILES notation for N-(3-methylbenzimidazol-5-yl)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide?
The canonical SMILES for N-(3-methylbenzimidazol-5-yl)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide is Cc1nc2cc3c(cc2n1CC(=O)Nc1ccc2ncn(C)c2c1)OCCO3.
What is the InChIKey of N-(3-methylbenzimidazol-5-yl)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide?
The InChIKey is XTHOHNANCCWSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-12-22-15-8-18-19(28-6-5-27-18)9-17(15)25(12)10-20(26)23-13-3-4-14-16(7-13)24(2)11-21-14/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,23,26).
What are the key properties of N-(3-methylbenzimidazol-5-yl)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide?
N-(3-methylbenzimidazol-5-yl)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbenzimidazol-5-yl)-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide is sourced from PubChem (CID 46975706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).