6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole

C16H22BrN3O — CID 123588844

IUPAC6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole
SMILESCC(C)(C)OCN1CCCC1c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H22BrN3O/c1-16(2,3)21-10-20-8-4-5-14(20)15-18-12-7-6-11(17)9-13(12)19-15/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,18,19)
InChIKeyYEQBIINEZNBAOM-UHFFFAOYSA-N
MW352.28 g/mol
LogP4.23
Rot. Bonds3

About 6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole

6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 123588844) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole
PubChem CID123588844
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole
SMILESCC(C)(C)OCN1CCCC1c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H22BrN3O/c1-16(2,3)21-10-20-8-4-5-14(20)15-18-12-7-6-11(17)9-13(12)19-15/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,18,19)
InChIKeyYEQBIINEZNBAOM-UHFFFAOYSA-N
XLogP4.23
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole
CID 67062553
butyl 2-(6-bromo-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate
CID 89497579
tert-butyl 2-[6-[4-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 59610695
3-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propanoic acid
CID 95725718
tert-butyl 2-[6-(bromomethyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 59540214
6-bromo-2-(2-methylcyclopentyl)-1H-benzimidazole
CID 107180157
tert-butyl 2-[6-[6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 66982100
methyl N-[1-[2-(6-bromo-1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 123917193
2-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 167762189
[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 69256155
6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 170441623
tert-butyl (2S)-2-[6-[5-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-1-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 58316320

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole (CID 123588844) is 6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole is CC(C)(C)OCN1CCCC1c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is YEQBIINEZNBAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-16(2,3)21-10-20-8-4-5-14(20)15-18-12-7-6-11(17)9-13(12)19-15/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,18,19).
What are the key properties of 6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole?
6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 352.28 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 123588844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).