5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one

C15H17BrN2O2 — CID 66475525

IUPAC5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC1(C)C(C(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)C1(C)C
InChIInChI=1S/C15H17BrN2O2/c1-14(2)12(15(14,3)4)11(19)7-5-9-10(6-8(7)16)18-13(20)17-9/h5-6,12H,1-4H3,(H2,17,18,20)
InChIKeyMFCBVSKRSXBANP-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.48
Rot. Bonds2

About 5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one

5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 66475525) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID66475525
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCC1(C)C(C(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)C1(C)C
InChIInChI=1S/C15H17BrN2O2/c1-14(2)12(15(14,3)4)11(19)7-5-9-10(6-8(7)16)18-13(20)17-9/h5-6,12H,1-4H3,(H2,17,18,20)
InChIKeyMFCBVSKRSXBANP-UHFFFAOYSA-N
XLogP3.48
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 62380081
ethyl 2-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-oxoacetate
CID 62374908
4-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-oxobutanoic acid
CID 62381373
5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 107096175
5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 62381370
5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 62381368
5-bromo-6-(3-methylbutan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741366
(2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
CID 54428500
5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one
CID 62374918
(2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 54996085
5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 82758247
(3,4-dibromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 79601903

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one (CID 66475525) is 5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one is CC1(C)C(C(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)C1(C)C.
What is the InChIKey of 5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MFCBVSKRSXBANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-14(2)12(15(14,3)4)11(19)7-5-9-10(6-8(7)16)18-13(20)17-9/h5-6,12H,1-4H3,(H2,17,18,20).
What are the key properties of 5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 337.22 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 66475525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).