N-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide

C18H17N3O3 — CID 46964212

IUPACN-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide
SMILESCCc1nc2cc(NC(=O)C3Oc4ccccc4O3)ccc2n1C
InChIInChI=1S/C18H17N3O3/c1-3-16-20-12-10-11(8-9-13(12)21(16)2)19-17(22)18-23-14-6-4-5-7-15(14)24-18/h4-10,18H,3H2,1-2H3,(H,19,22)
InChIKeyCDWWCAISOBKLNO-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.87
Rot. Bonds3

About N-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide

N-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide (PubChem CID 46964212) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide
PubChem CID46964212
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide
SMILESCCc1nc2cc(NC(=O)C3Oc4ccccc4O3)ccc2n1C
InChIInChI=1S/C18H17N3O3/c1-3-16-20-12-10-11(8-9-13(12)21(16)2)19-17(22)18-23-14-6-4-5-7-15(14)24-18/h4-10,18H,3H2,1-2H3,(H,19,22)
InChIKeyCDWWCAISOBKLNO-UHFFFAOYSA-N
XLogP2.87
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide
CID 100776792
N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-pyridin-4-ylbutanamide
CID 46964209
N-[2-(indol-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
CID 39047383
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 46964217
N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17244499
N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide
CID 4890018
2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide
CID 16672899
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 50751836
N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 46270360
N-(1,2-diethylbenzimidazol-5-yl)-1-methylazepane-2-carboxamide
CID 131891899
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide?
The IUPAC name of N-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide (CID 46964212) is N-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide?
The canonical SMILES for N-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide is CCc1nc2cc(NC(=O)C3Oc4ccccc4O3)ccc2n1C.
What is the InChIKey of N-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide?
The InChIKey is CDWWCAISOBKLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-16-20-12-10-11(8-9-13(12)21(16)2)19-17(22)18-23-14-6-4-5-7-15(14)24-18/h4-10,18H,3H2,1-2H3,(H,19,22).
What are the key properties of N-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide?
N-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-methylbenzimidazol-5-yl)-1,3-benzodioxole-2-carboxamide is sourced from PubChem (CID 46964212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).