2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide

C16H13BrN4O — CID 1349987

IUPAC2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide
SMILESCn1c(C=NNC(=O)c2ccccc2Br)nc2ccccc21
InChIInChI=1S/C16H13BrN4O/c1-21-14-9-5-4-8-13(14)19-15(21)10-18-20-16(22)11-6-2-3-7-12(11)17/h2-10H,1H3,(H,20,22)
InChIKeyUQXURCDEPPHUHS-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.10
Rot. Bonds3

About 2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide

2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide (PubChem CID 1349987) has the molecular formula C16H13BrN4O and a molecular weight of 357.21 g/mol. Its IUPAC name is 2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide
PubChem CID1349987
Molecular FormulaC16H13BrN4O
Molecular Weight357.21 g/mol
Exact Mass356.03
IUPAC Name2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide
SMILESCn1c(C=NNC(=O)c2ccccc2Br)nc2ccccc21
InChIInChI=1S/C16H13BrN4O/c1-21-14-9-5-4-8-13(14)19-15(21)10-18-20-16(22)11-6-2-3-7-12(11)17/h2-10H,1H3,(H,20,22)
InChIKeyUQXURCDEPPHUHS-UHFFFAOYSA-N
XLogP3.10
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide
CID 44791043
2-bromo-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzamide
CID 9016454
N-[(1-methylbenzimidazol-2-yl)methylidene]hydroxylamine
CID 18173
2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide
CID 9016496
2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide
CID 17245391
2-bromo-N-[(Z)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]benzamide
CID 50854010
2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide
CID 41300906
2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 17245319
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 1299946
2-bromo-N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]benzamide
CID 171131075
2-bromo-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 29146968

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide (CID 1349987) is 2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide is Cn1c(C=NNC(=O)c2ccccc2Br)nc2ccccc21.
What is the InChIKey of 2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide?
The InChIKey is UQXURCDEPPHUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O/c1-21-14-9-5-4-8-13(14)19-15(21)10-18-20-16(22)11-6-2-3-7-12(11)17/h2-10H,1H3,(H,20,22).
What are the key properties of 2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide?
2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide has a molecular weight of 357.21 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 1349987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).