N-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide

C13H14N4O — CID 139469862

IUPACN-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide
SMILESCCn1c(CNC(C)=O)nc2ccc(C#N)cc21
InChIInChI=1S/C13H14N4O/c1-3-17-12-6-10(7-14)4-5-11(12)16-13(17)8-15-9(2)18/h4-6H,3,8H2,1-2H3,(H,15,18)
InChIKeyYWHMEBGICVAQAT-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.56
Rot. Bonds3

About N-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide

N-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 139469862) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide
PubChem CID139469862
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide
SMILESCCn1c(CNC(C)=O)nc2ccc(C#N)cc21
InChIInChI=1S/C13H14N4O/c1-3-17-12-6-10(7-14)4-5-11(12)16-13(17)8-15-9(2)18/h4-6H,3,8H2,1-2H3,(H,15,18)
InChIKeyYWHMEBGICVAQAT-UHFFFAOYSA-N
XLogP1.56
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(chloromethyl)-6-cyanobenzimidazol-1-yl]ethyl]acetamide
CID 104715458
2-(2-chloroethyl)-3-ethylbenzimidazole-5-carbonitrile
CID 104715267
N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide
CID 124703638
2-(1-chloroethyl)-3-ethylbenzimidazole-5-carbonitrile
CID 104715265
3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile
CID 84619675
2-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]-N-ethylpropanamide
CID 104715559
3-[(1-ethylbenzimidazol-2-yl)methylamino]benzonitrile
CID 61020625
methyl 3-(2-amino-6-cyanobenzimidazol-1-yl)propanoate
CID 104714869
1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile
CID 65040344
methyl 3-[3-ethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzimidazol-5-yl]prop-2-enoate
CID 123408111
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
3-ethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzimidazole-5-carboxylic acid
CID 134560810

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of N-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide (CID 139469862) is N-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide is CCn1c(CNC(C)=O)nc2ccc(C#N)cc21.
What is the InChIKey of N-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is YWHMEBGICVAQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-3-17-12-6-10(7-14)4-5-11(12)16-13(17)8-15-9(2)18/h4-6H,3,8H2,1-2H3,(H,15,18).
What are the key properties of N-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide?
N-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 242.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 139469862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).