(6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone

C12H12BrN3O2 — CID 129160689

IUPAC(6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1nc2ccc(Br)cc2[nH]1)N1CCOCC1
InChIInChI=1S/C12H12BrN3O2/c13-8-1-2-9-10(7-8)15-11(14-9)12(17)16-3-5-18-6-4-16/h1-2,7H,3-6H2,(H,14,15)
InChIKeyUGPYMSXTVYTNAA-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.80
Rot. Bonds1

About (6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone

(6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone (PubChem CID 129160689) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is (6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone
PubChem CID129160689
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name(6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1nc2ccc(Br)cc2[nH]1)N1CCOCC1
InChIInChI=1S/C12H12BrN3O2/c13-8-1-2-9-10(7-8)15-11(14-9)12(17)16-3-5-18-6-4-16/h1-2,7H,3-6H2,(H,14,15)
InChIKeyUGPYMSXTVYTNAA-UHFFFAOYSA-N
XLogP1.80
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromo-1H-benzimidazol-2-yl)-(5,5-dimethyl-1,4-oxazepan-4-yl)methanone
CID 167779295
2-(1H-benzimidazol-2-yl)-3-(3-bromophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 4552817
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
(E)-3-(6-chloro-1H-benzimidazol-2-yl)-2-methyl-1-morpholin-4-ylbut-2-en-1-one
CID 10615622
(6-bromoisoquinolin-3-yl)-morpholin-4-ylmethanone
CID 71249567
1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one
CID 135163730
(E)-2-(1H-benzimidazol-2-yl)-3-(4-bromothiophen-2-yl)-1-morpholin-4-ylprop-2-en-1-one
CID 17457378
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
[2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone
CID 10360375
1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone
CID 103597100
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 38549380
6-bromo-2-piperazin-1-yl-1H-benzimidazole
CID 82563523

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone (CID 129160689) is (6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone is O=C(c1nc2ccc(Br)cc2[nH]1)N1CCOCC1.
What is the InChIKey of (6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone?
The InChIKey is UGPYMSXTVYTNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c13-8-1-2-9-10(7-8)15-11(14-9)12(17)16-3-5-18-6-4-16/h1-2,7H,3-6H2,(H,14,15).
What are the key properties of (6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone?
(6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone has a molecular weight of 310.15 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-benzimidazol-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 129160689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).