(4-bromo-1H-benzimidazol-2-yl) carbamate

C8H6BrN3O2 — CID 175381527

IUPAC(4-bromo-1H-benzimidazol-2-yl) carbamate
SMILESNC(=O)Oc1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C8H6BrN3O2/c9-4-2-1-3-5-6(4)12-8(11-5)14-7(10)13/h1-3H,(H2,10,13)(H,11,12)
InChIKeyAQOWMBBPUQPTGD-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.78
Rot. Bonds1

About (4-bromo-1H-benzimidazol-2-yl) carbamate

(4-bromo-1H-benzimidazol-2-yl) carbamate (PubChem CID 175381527) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is (4-bromo-1H-benzimidazol-2-yl) carbamate.

Molecular Properties

Compound Name(4-bromo-1H-benzimidazol-2-yl) carbamate
PubChem CID175381527
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name(4-bromo-1H-benzimidazol-2-yl) carbamate
SMILESNC(=O)Oc1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C8H6BrN3O2/c9-4-2-1-3-5-6(4)12-8(11-5)14-7(10)13/h1-3H,(H2,10,13)(H,11,12)
InChIKeyAQOWMBBPUQPTGD-UHFFFAOYSA-N
XLogP1.78
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Lobendazole
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6-Bromo-2-trifluoromethyl-1H-benzoimidazole
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N-1H-Benzimidazol-2-ylurea
CID 32346
Benzimidazole, 4,6-dibromo-2-(trifluoromethyl)-
CID 23097
6-bromo-2-methylsulfanyl-1H-benzimidazole
CID 351923
6-Bromo-1H-benzimidazole
CID 785299
Carbendazim phosphate
CID 65417
5-bromo-2-methyl-1H-1,3-benzodiazole
CID 610979
4-Bromo-1H-benzimidazole
CID 11252584
2-methoxy-1H-1,3-benzodiazole
CID 590607
5,6-Dibromo-2-chloro-1H-1,3-benzodiazole
CID 469417

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-benzimidazol-2-yl) carbamate?
The IUPAC name of (4-bromo-1H-benzimidazol-2-yl) carbamate (CID 175381527) is (4-bromo-1H-benzimidazol-2-yl) carbamate.
What is the SMILES notation for (4-bromo-1H-benzimidazol-2-yl) carbamate?
The canonical SMILES for (4-bromo-1H-benzimidazol-2-yl) carbamate is NC(=O)Oc1nc2c(Br)cccc2[nH]1.
What is the InChIKey of (4-bromo-1H-benzimidazol-2-yl) carbamate?
The InChIKey is AQOWMBBPUQPTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c9-4-2-1-3-5-6(4)12-8(11-5)14-7(10)13/h1-3H,(H2,10,13)(H,11,12).
What are the key properties of (4-bromo-1H-benzimidazol-2-yl) carbamate?
(4-bromo-1H-benzimidazol-2-yl) carbamate has a molecular weight of 256.06 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-benzimidazol-2-yl) carbamate is sourced from PubChem (CID 175381527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).