3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one

C14H11BrN2O2 — CID 117206708

IUPAC3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(O)cccc2n1Cc1ccccc1Br
InChIInChI=1S/C14H11BrN2O2/c15-10-5-2-1-4-9(10)8-17-11-6-3-7-12(18)13(11)16-14(17)19/h1-7,18H,8H2,(H,16,19)
InChIKeyBZECGNIRQQFURC-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.85
Rot. Bonds2

About 3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one

3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one (PubChem CID 117206708) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one
PubChem CID117206708
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(O)cccc2n1Cc1ccccc1Br
InChIInChI=1S/C14H11BrN2O2/c15-10-5-2-1-4-9(10)8-17-11-6-3-7-12(18)13(11)16-14(17)19/h1-7,18H,8H2,(H,16,19)
InChIKeyBZECGNIRQQFURC-UHFFFAOYSA-N
XLogP2.85
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112600325
3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206724
1-[(2-hydroxyphenyl)methyl]-7,9-dihydro-3H-purine-2,6,8-trione
CID 66744572
3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206721
3-[(2-hydroxyphenyl)methyl]-5-methyl-1H-benzimidazol-2-one
CID 117208246
7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117206660
5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117208257
7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one
CID 117206645
7-hydroxy-3-(oxan-2-yl)-1H-benzimidazol-2-one
CID 117206419
2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde
CID 83834899
2-oxo-1-(pyridin-2-ylmethyl)-3H-benzimidazole-4-carboxylic acid
CID 115541256
5-(aminomethyl)-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione
CID 115114709

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one?
The IUPAC name of 3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one (CID 117206708) is 3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one is O=c1[nH]c2c(O)cccc2n1Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one?
The InChIKey is BZECGNIRQQFURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c15-10-5-2-1-4-9(10)8-17-11-6-3-7-12(18)13(11)16-14(17)19/h1-7,18H,8H2,(H,16,19).
What are the key properties of 3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one?
3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one has a molecular weight of 319.16 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-7-hydroxy-1H-benzimidazol-2-one is sourced from PubChem (CID 117206708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).