4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole

C14H17BrN2 — CID 114271458

IUPAC4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole
SMILESCC1(C)C(c2nc3c(Br)cccc3[nH]2)C1(C)C
InChIInChI=1S/C14H17BrN2/c1-13(2)11(14(13,3)4)12-16-9-7-5-6-8(15)10(9)17-12/h5-7,11H,1-4H3,(H,16,17)
InChIKeyLQBSKTCDGKYMDG-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.47
Rot. Bonds1

About 4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole

4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole (PubChem CID 114271458) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole
PubChem CID114271458
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole
SMILESCC1(C)C(c2nc3c(Br)cccc3[nH]2)C1(C)C
InChIInChI=1S/C14H17BrN2/c1-13(2)11(14(13,3)4)12-16-9-7-5-6-8(15)10(9)17-12/h5-7,11H,1-4H3,(H,16,17)
InChIKeyLQBSKTCDGKYMDG-UHFFFAOYSA-N
XLogP4.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-(1-ethylcyclopentyl)-1H-benzimidazole
CID 114271481
2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine
CID 83866913
4-bromo-N-methyl-1H-benzimidazole-2-carboxamide
CID 176661682
2-(4-bromo-1H-benzimidazol-2-yl)ethanol
CID 83866918
1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine
CID 143620727
4-bromo-2-(4,4-difluoropiperidin-1-yl)-1H-benzimidazole
CID 171842001
(4-bromo-1H-benzimidazol-2-yl)methyl-tert-butylcarbamic acid
CID 135150259
(4-bromo-1H-benzimidazol-2-yl) carbamate
CID 175381527
4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole
CID 107180154
5,6-dichloro-2-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazo[4,5-b]pyridine
CID 103977441
5-bromo-1H-quinoxalin-2-one
CID 10537149
4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 114271483

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole?
The IUPAC name of 4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole (CID 114271458) is 4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole.
What is the SMILES notation for 4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole?
The canonical SMILES for 4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole is CC1(C)C(c2nc3c(Br)cccc3[nH]2)C1(C)C.
What is the InChIKey of 4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole?
The InChIKey is LQBSKTCDGKYMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-13(2)11(14(13,3)4)12-16-9-7-5-6-8(15)10(9)17-12/h5-7,11H,1-4H3,(H,16,17).
What are the key properties of 4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole?
4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole has a molecular weight of 293.21 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole is sourced from PubChem (CID 114271458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).