5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole

C15H14BrN3O — CID 178013675

IUPAC5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole
SMILESC[C@@H](Oc1cc(Br)cc2ncn(C)c12)c1ccccn1
InChIInChI=1S/C15H14BrN3O/c1-10(12-5-3-4-6-17-12)20-14-8-11(16)7-13-15(14)19(2)9-18-13/h3-10H,1-2H3/t10-/m1/s1
InChIKeyKKGCDCVOHYEFBO-SNVBAGLBSA-N
MW332.20 g/mol
LogP3.87
Rot. Bonds3

About 5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole

5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole (PubChem CID 178013675) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole.

Molecular Properties

Compound Name5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole
PubChem CID178013675
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole
SMILESC[C@@H](Oc1cc(Br)cc2ncn(C)c12)c1ccccn1
InChIInChI=1S/C15H14BrN3O/c1-10(12-5-3-4-6-17-12)20-14-8-11(16)7-13-15(14)19(2)9-18-13/h3-10H,1-2H3/t10-/m1/s1
InChIKeyKKGCDCVOHYEFBO-SNVBAGLBSA-N
XLogP3.87
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-bromo-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazol-1-yl]-2-methylpropanoic acid
CID 178013353
6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920773
2-[(1R)-1-phenoxyethyl]pyridine
CID 15893448
7-[(1R)-1-pyridin-2-ylethoxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazole
CID 178013557
[3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid
CID 171818813
4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile
CID 117053031
3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid
CID 117053449
2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine
CID 115401604
1-[(2S,4R)-4-[4-[1-(difluoromethyl)-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazol-5-yl]-5-methyltriazol-1-yl]-2-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 178013666
2-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine
CID 113296265
[4-[(E)-[4-[1-(difluoromethyl)-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazol-5-yl]-5-methyltriazol-1-ium-1-ylidene]methyl]cyclohexyl]cyanamide
CID 178013343
3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
CID 178130641

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole?
The IUPAC name of 5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole (CID 178013675) is 5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole.
What is the SMILES notation for 5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole?
The canonical SMILES for 5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole is C[C@@H](Oc1cc(Br)cc2ncn(C)c12)c1ccccn1.
What is the InChIKey of 5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole?
The InChIKey is KKGCDCVOHYEFBO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-10(12-5-3-4-6-17-12)20-14-8-11(16)7-13-15(14)19(2)9-18-13/h3-10H,1-2H3/t10-/m1/s1.
What are the key properties of 5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole?
5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole has a molecular weight of 332.20 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole is sourced from PubChem (CID 178013675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).