N'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide

C14H11BrN4 — CID 155686111

IUPACN'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide
SMILESN/C(=N\c1nc2ccc(Br)cc2[nH]1)c1ccccc1
InChIInChI=1S/C14H11BrN4/c15-10-6-7-11-12(8-10)18-14(17-11)19-13(16)9-4-2-1-3-5-9/h1-8H,(H3,16,17,18,19)
InChIKeyMLXPGWCPEWUODD-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.36
Rot. Bonds2

About N'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide

N'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide (PubChem CID 155686111) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is N'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide
PubChem CID155686111
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC NameN'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide
SMILESN/C(=N\c1nc2ccc(Br)cc2[nH]1)c1ccccc1
InChIInChI=1S/C14H11BrN4/c15-10-6-7-11-12(8-10)18-14(17-11)19-13(16)9-4-2-1-3-5-9/h1-8H,(H3,16,17,18,19)
InChIKeyMLXPGWCPEWUODD-UHFFFAOYSA-N
XLogP3.36
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-[(Z)-2-chloro-2-phenylethenyl]-1H-benzimidazole
CID 87293067
CID 175276367
CID 175276367
N'-[2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 17246584
6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane
CID 91356602
6-bromo-2-(1-chloroethyl)-1H-benzimidazole
CID 47003349
2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 17246536
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
(2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol
CID 97035679
6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328
6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole
CID 83154051
2-bromo-3H-benzimidazole-5-carboxamide
CID 130960891
6-bromo-2-(1-chloroethyl)-1H-benzimidazole;hydrochloride
CID 47003348

Frequently Asked Questions

What is the IUPAC name of N'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide?
The IUPAC name of N'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide (CID 155686111) is N'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide.
What is the SMILES notation for N'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide?
The canonical SMILES for N'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide is N/C(=N\c1nc2ccc(Br)cc2[nH]1)c1ccccc1.
What is the InChIKey of N'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide?
The InChIKey is MLXPGWCPEWUODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-10-6-7-11-12(8-10)18-14(17-11)19-13(16)9-4-2-1-3-5-9/h1-8H,(H3,16,17,18,19).
What are the key properties of N'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide?
N'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide has a molecular weight of 315.17 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide is sourced from PubChem (CID 155686111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).