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

C11H10N4O — CID 124703638

IUPACN-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide
SMILESCC(=O)NCc1nc2ccc(C#N)cc2[nH]1
InChIInChI=1S/C11H10N4O/c1-7(16)13-6-11-14-9-3-2-8(5-12)4-10(9)15-11/h2-4H,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyFJRBTINHLQRWBU-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.07
Rot. Bonds2

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

N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide (PubChem CID 124703638) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide
PubChem CID124703638
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC NameN-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide
SMILESCC(=O)NCc1nc2ccc(C#N)cc2[nH]1
InChIInChI=1S/C11H10N4O/c1-7(16)13-6-11-14-9-3-2-8(5-12)4-10(9)15-11/h2-4H,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyFJRBTINHLQRWBU-UHFFFAOYSA-N
XLogP1.07
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(6-cyano-1H-benzimidazol-2-yl)methyl]carbamate
CID 118213920
2-(6-cyano-1H-benzimidazol-2-yl)acetic acid
CID 22002129
2-ethyl-3H-benzimidazole-5-carbonitrile
CID 70184762
3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 56744624
ethyl 3-(6-cyano-1H-benzimidazol-2-yl)propanoate
CID 59214280
2-heptyl-3H-benzimidazole-5-carbonitrile
CID 79004327
2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 119326371
N-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 139469862
tert-butyl N-[(6-ethynyl-1H-benzimidazol-2-yl)methyl]carbamate
CID 88874328
1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide
CID 156818205
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide
CID 91832737

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide?
The IUPAC name of N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide (CID 124703638) is N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide is CC(=O)NCc1nc2ccc(C#N)cc2[nH]1.
What is the InChIKey of N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide?
The InChIKey is FJRBTINHLQRWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-7(16)13-6-11-14-9-3-2-8(5-12)4-10(9)15-11/h2-4H,6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide?
N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide has a molecular weight of 214.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 124703638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).