3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide

C26H42N4O2 — CID 143059829

IUPAC3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide
SMILESCCCCn1c(CCC(=O)NC)nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc21
InChIInChI=1S/C26H42N4O2/c1-7-8-15-30-23-18-21(9-10-22(23)28-24(30)11-12-25(31)27-6)26(32)29(16-13-19(2)3)17-14-20(4)5/h9-10,18-20H,7-8,11-17H2,1-6H3,(H,27,31)
InChIKeyMDLGSIZLIXUBIQ-UHFFFAOYSA-N
MW442.65 g/mol
LogP5.05
Rot. Bonds13

About 3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide

3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide (PubChem CID 143059829) has the molecular formula C26H42N4O2 and a molecular weight of 442.65 g/mol. Its IUPAC name is 3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide
PubChem CID143059829
Molecular FormulaC26H42N4O2
Molecular Weight442.65 g/mol
Exact Mass442.33
IUPAC Name3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide
SMILESCCCCn1c(CCC(=O)NC)nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc21
InChIInChI=1S/C26H42N4O2/c1-7-8-15-30-23-18-21(9-10-22(23)28-24(30)11-12-25(31)27-6)26(32)29(16-13-19(2)3)17-14-20(4)5/h9-10,18-20H,7-8,11-17H2,1-6H3,(H,27,31)
InChIKeyMDLGSIZLIXUBIQ-UHFFFAOYSA-N
XLogP5.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.65
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide
CID 142936690
N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide
CID 18733407
2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 58770919
N,N-bis(3-methylbutyl)-2-[3-(methyliminomethyl)hexa-3,5-dienyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 123486129
N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide
CID 58770936
3-(3-aminopropyl)-N,N-bis(3-methylbutyl)-2-[4-(methylcarbamoyl)anilino]benzimidazole-5-carboxamide
CID 10031115
2-[(Z)-1-(methylamino)prop-1-enyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 71105522
3-(3-aminopropyl)-N,N-bis(3-methylbutyl)-2-[4-(methylcarbamoylamino)anilino]benzimidazole-5-carboxamide;dihydrochloride
CID 10031401
2-(4-acetylphenyl)-3-(3-aminopropyl)-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide
CID 58771124
methyl 5-[6-[bis(2-methylpropyl)carbamoyl]-1-(3-piperidin-1-ylpropyl)benzimidazol-2-yl]pentanoate
CID 58770915
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 43005369
3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 159808543

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide?
The IUPAC name of 3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide (CID 143059829) is 3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide?
The canonical SMILES for 3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide is CCCCn1c(CCC(=O)NC)nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc21.
What is the InChIKey of 3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide?
The InChIKey is MDLGSIZLIXUBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O2/c1-7-8-15-30-23-18-21(9-10-22(23)28-24(30)11-12-25(31)27-6)26(32)29(16-13-19(2)3)17-14-20(4)5/h9-10,18-20H,7-8,11-17H2,1-6H3,(H,27,31).
What are the key properties of 3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide?
3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide has a molecular weight of 442.65 g/mol, XLogP of 5.05, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 143059829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).