N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide

C17H15N3O3 — CID 110866873

IUPACN-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESCc1nc2ccc(N(C)C(=O)c3ccc4c(c3)OCO4)cc2[nH]1
InChIInChI=1S/C17H15N3O3/c1-10-18-13-5-4-12(8-14(13)19-10)20(2)17(21)11-3-6-15-16(7-11)23-9-22-15/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyQZQUFZDZGXFXIW-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.88
Rot. Bonds2

About N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide

N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 110866873) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID110866873
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide
SMILESCc1nc2ccc(N(C)C(=O)c3ccc4c(c3)OCO4)cc2[nH]1
InChIInChI=1S/C17H15N3O3/c1-10-18-13-5-4-12(8-14(13)19-10)20(2)17(21)11-3-6-15-16(7-11)23-9-22-15/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyQZQUFZDZGXFXIW-UHFFFAOYSA-N
XLogP2.88
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
CID 110869413
2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115190207
2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid
CID 115141265
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 74246041
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 28894383
2-amino-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 82493565
2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115161938
N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 99714193
N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide
CID 115159459
N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110724276
N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide
CID 110752701

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide (CID 110866873) is N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide is Cc1nc2ccc(N(C)C(=O)c3ccc4c(c3)OCO4)cc2[nH]1.
What is the InChIKey of N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is QZQUFZDZGXFXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-18-13-5-4-12(8-14(13)19-10)20(2)17(21)11-3-6-15-16(7-11)23-9-22-15/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide?
N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110866873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).