1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole

C16H24N2 — CID 4626924

IUPAC1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole
SMILESCCC(C)Cn1c(CC(C)C)nc2ccccc21
InChIInChI=1S/C16H24N2/c1-5-13(4)11-18-15-9-7-6-8-14(15)17-16(18)10-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyWTADGWOLXBLPSL-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.28
Rot. Bonds5

About 1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole

1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole (PubChem CID 4626924) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole
PubChem CID4626924
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole
SMILESCCC(C)Cn1c(CC(C)C)nc2ccccc21
InChIInChI=1S/C16H24N2/c1-5-13(4)11-18-15-9-7-6-8-14(15)17-16(18)10-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyWTADGWOLXBLPSL-UHFFFAOYSA-N
XLogP4.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole
CID 975612
3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 2945571
1-butyl-2-(2-methylpropyl)benzimidazole
CID 4004972
2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole
CID 18878404
2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole
CID 3344843
2-ethyl-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974700
1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole
CID 17000601
[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
CID 163331235
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
2-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272036
2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole
CID 18878777

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole?
The IUPAC name of 1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole (CID 4626924) is 1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole?
The canonical SMILES for 1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole is CCC(C)Cn1c(CC(C)C)nc2ccccc21.
What is the InChIKey of 1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole?
The InChIKey is WTADGWOLXBLPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-5-13(4)11-18-15-9-7-6-8-14(15)17-16(18)10-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3.
What are the key properties of 1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole?
1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole has a molecular weight of 244.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 4626924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).