2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide

C23H27N3O3 — CID 90871410

IUPAC2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide
SMILESCCC(C(=O)NC(C)(C)C)n1c(C(=O)c2ccccc2)nc2ccc(OC)cc21
InChIInChI=1S/C23H27N3O3/c1-6-18(22(28)25-23(2,3)4)26-19-14-16(29-5)12-13-17(19)24-21(26)20(27)15-10-8-7-9-11-15/h7-14,18H,6H2,1-5H3,(H,25,28)
InChIKeyULHZGSWPJGPJLO-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.14
Rot. Bonds6

About 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide

2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide (PubChem CID 90871410) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide.

Molecular Properties

Compound Name2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide
PubChem CID90871410
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide
SMILESCCC(C(=O)NC(C)(C)C)n1c(C(=O)c2ccccc2)nc2ccc(OC)cc21
InChIInChI=1S/C23H27N3O3/c1-6-18(22(28)25-23(2,3)4)26-19-14-16(29-5)12-13-17(19)24-21(26)20(27)15-10-8-7-9-11-15/h7-14,18H,6H2,1-5H3,(H,25,28)
InChIKeyULHZGSWPJGPJLO-UHFFFAOYSA-N
XLogP4.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one
CID 142985780
2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide
CID 11281617
N-(3,3-dimethylbutyl)-2-(2-methoxycarbazol-9-yl)butanamide
CID 91483085
2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide
CID 91343256
ethyl 2-[[(2S)-2-(2-benzoyl-5,6-dibromobenzimidazol-1-yl)pentanoyl]amino]acetate
CID 86279932
N-(cyclopropylmethyl)-2-[6-methoxy-2-(2-methylpropanoyl)benzimidazol-1-yl]pentanamide
CID 91603251
(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163
N-[(2R,3S,4S)-1-(tert-butylamino)-4-hydroxy-4-(4-methoxyphenyl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 14807826
2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 3224836
1-(3-benzoyl-6-methoxyindazol-1-yl)-3,3-dimethylbutan-2-one
CID 10427954

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide?
The IUPAC name of 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide (CID 90871410) is 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide.
What is the SMILES notation for 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide?
The canonical SMILES for 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide is CCC(C(=O)NC(C)(C)C)n1c(C(=O)c2ccccc2)nc2ccc(OC)cc21.
What is the InChIKey of 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide?
The InChIKey is ULHZGSWPJGPJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-6-18(22(28)25-23(2,3)4)26-19-14-16(29-5)12-13-17(19)24-21(26)20(27)15-10-8-7-9-11-15/h7-14,18H,6H2,1-5H3,(H,25,28).
What are the key properties of 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide?
2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide has a molecular weight of 393.49 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N-tert-butylbutanamide is sourced from PubChem (CID 90871410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).