N-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide

C18H27N3O — CID 110773328

IUPACN-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
SMILESCCCCN(C)C(=O)Cc1ccc2c(c1)nc(C(C)C)n2C
InChIInChI=1S/C18H27N3O/c1-6-7-10-20(4)17(22)12-14-8-9-16-15(11-14)19-18(13(2)3)21(16)5/h8-9,11,13H,6-7,10,12H2,1-5H3
InChIKeyOZPHFXLZDJMALY-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.50
Rot. Bonds6

About N-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide

N-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide (PubChem CID 110773328) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
PubChem CID110773328
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
SMILESCCCCN(C)C(=O)Cc1ccc2c(c1)nc(C(C)C)n2C
InChIInChI=1S/C18H27N3O/c1-6-7-10-20(4)17(22)12-14-8-9-16-15(11-14)19-18(13(2)3)21(16)5/h8-9,11,13H,6-7,10,12H2,1-5H3
InChIKeyOZPHFXLZDJMALY-UHFFFAOYSA-N
XLogP3.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(1-(2-(diethylamino)ethyl)-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N-hydroxyacrylamide
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N-(1-ethylbenzimidazol-2-yl)benzamide
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1-Phenylbenzimidazole deriv. 72
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CID 9953722
N-Cyclopentyl-1-(1-isopropyl-5,6-dimethyl-1H-benzo[d]imidazol-2-yl)piperidine-4-carboxamide
CID 67033699
[4-(2-methylbenzimidazol-1-yl)phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24896761
(S)-1,3''-bipyrrolidin-1''-yl(4-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)phenyl)methanone
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1'-[[5-(Aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one
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2-benzyl-N,N-diethylbenzimidazole-1-carboxamide
CID 735650

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide?
The IUPAC name of N-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide (CID 110773328) is N-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide?
The canonical SMILES for N-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide is CCCCN(C)C(=O)Cc1ccc2c(c1)nc(C(C)C)n2C.
What is the InChIKey of N-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide?
The InChIKey is OZPHFXLZDJMALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-6-7-10-20(4)17(22)12-14-8-9-16-15(11-14)19-18(13(2)3)21(16)5/h8-9,11,13H,6-7,10,12H2,1-5H3.
What are the key properties of N-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide?
N-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide has a molecular weight of 301.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 110773328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).