N-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide

C18H14N4O3 — CID 39158171

IUPACN-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide
SMILESCc1nc2cc3c(cc2n1CC(=O)Nc1ccccc1C#N)OCO3
InChIInChI=1S/C18H14N4O3/c1-11-20-14-6-16-17(25-10-24-16)7-15(14)22(11)9-18(23)21-13-5-3-2-4-12(13)8-19/h2-7H,9-10H2,1H3,(H,21,23)
InChIKeyBSZAJNTYLGHKHX-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.58
Rot. Bonds3

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

N-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide (PubChem CID 39158171) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide
PubChem CID39158171
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC NameN-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide
SMILESCc1nc2cc3c(cc2n1CC(=O)Nc1ccccc1C#N)OCO3
InChIInChI=1S/C18H14N4O3/c1-11-20-14-6-16-17(25-10-24-16)7-15(14)22(11)9-18(23)21-13-5-3-2-4-12(13)8-19/h2-7H,9-10H2,1H3,(H,21,23)
InChIKeyBSZAJNTYLGHKHX-UHFFFAOYSA-N
XLogP2.58
TPSA89.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40689130
N-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide
CID 39158170
N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028556
N-(1,3-benzodioxol-5-yl)-N'-(2-cyanophenyl)propanediamide
CID 108956697
2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide
CID 23008463
N-(3,4-dimethylphenyl)-2-(2-methyl-7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide
CID 18525475
N-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide
CID 39148117
N-(2-cyanophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 39159273
2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide
CID 39148056
N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide
CID 109010915
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121439
2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol
CID 82149388

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide (CID 39158171) is N-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide is Cc1nc2cc3c(cc2n1CC(=O)Nc1ccccc1C#N)OCO3.
What is the InChIKey of N-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide?
The InChIKey is BSZAJNTYLGHKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-11-20-14-6-16-17(25-10-24-16)7-15(14)22(11)9-18(23)21-13-5-3-2-4-12(13)8-19/h2-7H,9-10H2,1H3,(H,21,23).
What are the key properties of N-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide?
N-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide has a molecular weight of 334.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide is sourced from PubChem (CID 39158171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).