N-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide

C20H20N4O — CID 4915475

IUPACN-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide
SMILESCCCCn1c(-c2ccc(NC(C)=O)cc2)nc2cc(C#N)ccc21
InChIInChI=1S/C20H20N4O/c1-3-4-11-24-19-10-5-15(13-21)12-18(19)23-20(24)16-6-8-17(9-7-16)22-14(2)25/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)
InChIKeyDWTQCRWJTOYJKV-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.33
Rot. Bonds5

About N-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide

N-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide (PubChem CID 4915475) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide
PubChem CID4915475
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide
SMILESCCCCn1c(-c2ccc(NC(C)=O)cc2)nc2cc(C#N)ccc21
InChIInChI=1S/C20H20N4O/c1-3-4-11-24-19-10-5-15(13-21)12-18(19)23-20(24)16-6-8-17(9-7-16)22-14(2)25/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)
InChIKeyDWTQCRWJTOYJKV-UHFFFAOYSA-N
XLogP4.33
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040444
3-butyl-2-(4-fluorophenyl)benzimidazole-5-carbonitrile
CID 44543222
1-butyl-2-(3-tert-butyl-2-hydroxyphenyl)benzimidazole-5-carbonitrile
CID 4915476
2-(2-methyl-4-pyridinyl)-1-propylbenzimidazole-5-carbonitrile
CID 106754381
1-ethyl-2-pyridin-4-ylbenzimidazole-5-carbonitrile
CID 65034992
2-(3-fluorophenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040309
2-(5-cyano-1-propylbenzimidazol-2-yl)benzoic acid
CID 4915316
4-(1-butyl-6-propylsulfanylbenzimidazol-2-yl)benzonitrile
CID 134083974
methyl 4-(5,6-dicyano-1-propylbenzimidazol-2-yl)benzoate
CID 172677578
[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine
CID 82333100
2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile
CID 65040636
N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
CID 82564153

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide (CID 4915475) is N-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide is CCCCn1c(-c2ccc(NC(C)=O)cc2)nc2cc(C#N)ccc21.
What is the InChIKey of N-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide?
The InChIKey is DWTQCRWJTOYJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-4-11-24-19-10-5-15(13-21)12-18(19)23-20(24)16-6-8-17(9-7-16)22-14(2)25/h5-10,12H,3-4,11H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide?
N-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide has a molecular weight of 332.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-butyl-5-cyanobenzimidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 4915475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).