N-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide

C17H14BrN3O2 — CID 174278444

IUPACN-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide
SMILESC=C(OC)C(=O)Nc1ccc2nc(-c3ccccc3Br)[nH]c2c1
InChIInChI=1S/C17H14BrN3O2/c1-10(23-2)17(22)19-11-7-8-14-15(9-11)21-16(20-14)12-5-3-4-6-13(12)18/h3-9H,1H2,2H3,(H,19,22)(H,20,21)
InChIKeyIBDJTRSNBRKVQA-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.09
Rot. Bonds4

About N-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide

N-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide (PubChem CID 174278444) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide
PubChem CID174278444
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC NameN-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide
SMILESC=C(OC)C(=O)Nc1ccc2nc(-c3ccccc3Br)[nH]c2c1
InChIInChI=1S/C17H14BrN3O2/c1-10(23-2)17(22)19-11-7-8-14-15(9-11)21-16(20-14)12-5-3-4-6-13(12)18/h3-9H,1H2,2H3,(H,19,22)(H,20,21)
InChIKeyIBDJTRSNBRKVQA-UHFFFAOYSA-N
XLogP4.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]-2,2-dimethylpropanamide
CID 10413942
N-[4-hydroxy-3-[6-(2-methylprop-2-enoylamino)-1H-benzimidazol-2-yl]phenyl]-2-methylprop-2-enamide
CID 3091491
2-(2-bromophenyl)-3H-benzimidazol-5-ol
CID 81431199
N-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]acetamide
CID 10000153
methyl 2-(5-bromonaphthalen-1-yl)-3H-benzimidazole-5-carboxylate
CID 91673779
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]acetamide
CID 18984570
2-(2-bromophenyl)-6-nitro-1H-benzimidazole
CID 43829002
2-methoxy-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide
CID 56762292
methyl 2-(2-bromophenyl)-7-chloro-3H-benzimidazole-5-carboxylate
CID 91686668
N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
CID 1136428
methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate
CID 86795214

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide?
The IUPAC name of N-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide (CID 174278444) is N-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide.
What is the SMILES notation for N-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide?
The canonical SMILES for N-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide is C=C(OC)C(=O)Nc1ccc2nc(-c3ccccc3Br)[nH]c2c1.
What is the InChIKey of N-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide?
The InChIKey is IBDJTRSNBRKVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-10(23-2)17(22)19-11-7-8-14-15(9-11)21-16(20-14)12-5-3-4-6-13(12)18/h3-9H,1H2,2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide?
N-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide has a molecular weight of 372.22 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-3H-benzimidazol-5-yl]-2-methoxyprop-2-enamide is sourced from PubChem (CID 174278444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).