N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide

C15H12BrN3O2 — CID 78987804

IUPACN-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H12BrN3O2/c1-21-13-8-9(16)6-7-10(13)14(20)19-15-17-11-4-2-3-5-12(11)18-15/h2-8H,1H3,(H2,17,18,19,20)
InChIKeyXQVLPQCBEJQTPM-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.59
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide

N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide (PubChem CID 78987804) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide
PubChem CID78987804
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC NameN-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H12BrN3O2/c1-21-13-8-9(16)6-7-10(13)14(20)19-15-17-11-4-2-3-5-12(11)18-15/h2-8H,1H3,(H2,17,18,19,20)
InChIKeyXQVLPQCBEJQTPM-UHFFFAOYSA-N
XLogP3.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4695097
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2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
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N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 27649715
N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
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CID 46445811
4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594
N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide
CID 24505737
N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide
CID 146022195
N-(1H-benzimidazol-2-yl)-3-methoxy-5-phenylthiophene-2-carboxamide
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N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide (CID 78987804) is N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide?
The InChIKey is XQVLPQCBEJQTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-21-13-8-9(16)6-7-10(13)14(20)19-15-17-11-4-2-3-5-12(11)18-15/h2-8H,1H3,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide?
N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide has a molecular weight of 346.18 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide is sourced from PubChem (CID 78987804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).