N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide

C21H25N3O2 — CID 17001798

IUPACN-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c(-c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C21H25N3O2/c1-4-5-13-23(2)20(25)15-24-19-12-7-6-11-18(19)22-21(24)16-9-8-10-17(14-16)26-3/h6-12,14H,4-5,13,15H2,1-3H3
InChIKeyUSDAFQOIWRVRPR-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.97
Rot. Bonds7

About N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide

N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide (PubChem CID 17001798) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
PubChem CID17001798
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c(-c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C21H25N3O2/c1-4-5-13-23(2)20(25)15-24-19-12-7-6-11-18(19)22-21(24)16-9-8-10-17(14-16)26-3/h6-12,14H,4-5,13,15H2,1-3H3
InChIKeyUSDAFQOIWRVRPR-UHFFFAOYSA-N
XLogP3.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17000570
N,N-diethyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17001793
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 17001797
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032912
N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17002185
N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990861
N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 16996476
2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid
CID 20984118
N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide
CID 19242365
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
CID 16984220

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide (CID 17001798) is N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide is CCCCN(C)C(=O)Cn1c(-c2cccc(OC)c2)nc2ccccc21.
What is the InChIKey of N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide?
The InChIKey is USDAFQOIWRVRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-5-13-23(2)20(25)15-24-19-12-7-6-11-18(19)22-21(24)16-9-8-10-17(14-16)26-3/h6-12,14H,4-5,13,15H2,1-3H3.
What are the key properties of N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide?
N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 351.45 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 17001798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).