4-bromo-N-methyl-1H-benzimidazole-2-carboxamide

C9H8BrN3O — CID 176661682

IUPAC4-bromo-N-methyl-1H-benzimidazole-2-carboxamide
SMILESCNC(=O)c1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C9H8BrN3O/c1-11-9(14)8-12-6-4-2-3-5(10)7(6)13-8/h2-4H,1H3,(H,11,14)(H,12,13)
InChIKeyHEUCQIRFKBIIKG-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.68
Rot. Bonds1

About 4-bromo-N-methyl-1H-benzimidazole-2-carboxamide

4-bromo-N-methyl-1H-benzimidazole-2-carboxamide (PubChem CID 176661682) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 4-bromo-N-methyl-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-methyl-1H-benzimidazole-2-carboxamide
PubChem CID176661682
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name4-bromo-N-methyl-1H-benzimidazole-2-carboxamide
SMILESCNC(=O)c1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C9H8BrN3O/c1-11-9(14)8-12-6-4-2-3-5(10)7(6)13-8/h2-4H,1H3,(H,11,14)(H,12,13)
InChIKeyHEUCQIRFKBIIKG-UHFFFAOYSA-N
XLogP1.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-1H-benzimidazol-2-yl)-1-(imino-λ4-sulfanylidene)-N,N-dimethylmethanamine
CID 143620727
methyl 4-(4-bromo-1H-benzimidazol-2-yl)benzoate
CID 166067422
(4-bromo-1H-benzimidazol-2-yl) carbamate
CID 175381527
2-amino-N-methyl-1H-benzimidazole-4-carboxamide
CID 166892984
4-[(4-bromo-1H-benzimidazol-2-yl)methyl]benzoic acid
CID 175326506
ethyl 4-iodo-1H-benzimidazole-2-carboxylate
CID 131472468
4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide
CID 154747623
methyl 4-sulfanyl-1H-benzimidazole-2-carboxylate
CID 130956320
2-(4-bromo-1H-benzimidazol-2-yl)ethanol
CID 83866918
2-(4-hydroxy-1H-benzimidazol-2-yl)-2-oxoacetaldehyde
CID 76845899
(4-bromo-1H-benzimidazol-2-yl)methyl-tert-butylcarbamic acid
CID 135150259
4-amino-8-bromo-N-methylcinnoline-3-carboxamide
CID 67228769

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-1H-benzimidazole-2-carboxamide?
The IUPAC name of 4-bromo-N-methyl-1H-benzimidazole-2-carboxamide (CID 176661682) is 4-bromo-N-methyl-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-methyl-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 4-bromo-N-methyl-1H-benzimidazole-2-carboxamide is CNC(=O)c1nc2c(Br)cccc2[nH]1.
What is the InChIKey of 4-bromo-N-methyl-1H-benzimidazole-2-carboxamide?
The InChIKey is HEUCQIRFKBIIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c1-11-9(14)8-12-6-4-2-3-5(10)7(6)13-8/h2-4H,1H3,(H,11,14)(H,12,13).
What are the key properties of 4-bromo-N-methyl-1H-benzimidazole-2-carboxamide?
4-bromo-N-methyl-1H-benzimidazole-2-carboxamide has a molecular weight of 254.09 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 176661682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).