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

C18H14N4O3 — CID 39158170

IUPACN-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide
SMILESCc1nc2cc3c(cc2n1CC(=O)Nc1cccc(C#N)c1)OCO3
InChIInChI=1S/C18H14N4O3/c1-11-20-14-6-16-17(25-10-24-16)7-15(14)22(11)9-18(23)21-13-4-2-3-12(5-13)8-19/h2-7H,9-10H2,1H3,(H,21,23)
InChIKeyYKZGRYUHIRFGLT-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.58
Rot. Bonds3

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

N-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide (PubChem CID 39158170) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide
PubChem CID39158170
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC NameN-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide
SMILESCc1nc2cc3c(cc2n1CC(=O)Nc1cccc(C#N)c1)OCO3
InChIInChI=1S/C18H14N4O3/c1-11-20-14-6-16-17(25-10-24-16)7-15(14)22(11)9-18(23)21-13-4-2-3-12(5-13)8-19/h2-7H,9-10H2,1H3,(H,21,23)
InChIKeyYKZGRYUHIRFGLT-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-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide
CID 39158171
N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028556
N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 63768495
N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide
CID 39157829
N-(3,4-dimethylphenyl)-2-(2-methyl-7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)acetamide
CID 18525475
N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide
CID 39148036
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyanophenyl)acetamide
CID 8745698
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
3-(4,6-dioxa-10,11,13,15-tetrazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,12,14-pentaen-12-ylamino)benzonitrile
CID 82563756
N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide
CID 115644362
N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide
CID 78893496
N-(1,3-benzodioxol-5-yl)-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028639

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide (CID 39158170) is N-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide is Cc1nc2cc3c(cc2n1CC(=O)Nc1cccc(C#N)c1)OCO3.
What is the InChIKey of N-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide?
The InChIKey is YKZGRYUHIRFGLT-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)21-13-4-2-3-12(5-13)8-19/h2-7H,9-10H2,1H3,(H,21,23).
What are the key properties of N-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide?
N-(3-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-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide is sourced from PubChem (CID 39158170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).