N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide

C18H12BrN3O — CID 11617554

IUPACN-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H12BrN3O/c19-14-4-3-11-7-13(2-1-12(11)8-14)18(23)22-15-5-6-16-17(9-15)21-10-20-16/h1-10H,(H,20,21)(H,22,23)
InChIKeyIJRFBVYHZJWXGZ-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.73
Rot. Bonds2

About N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide

N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide (PubChem CID 11617554) has the molecular formula C18H12BrN3O and a molecular weight of 366.22 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide
PubChem CID11617554
Molecular FormulaC18H12BrN3O
Molecular Weight366.22 g/mol
Exact Mass365.02
IUPAC NameN-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H12BrN3O/c19-14-4-3-11-7-13(2-1-12(11)8-14)18(23)22-15-5-6-16-17(9-15)21-10-20-16/h1-10H,(H,20,21)(H,22,23)
InChIKeyIJRFBVYHZJWXGZ-UHFFFAOYSA-N
XLogP4.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide (CID 11617554) is N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide is O=C(Nc1ccc2nc[nH]c2c1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide?
The InChIKey is IJRFBVYHZJWXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O/c19-14-4-3-11-7-13(2-1-12(11)8-14)18(23)22-15-5-6-16-17(9-15)21-10-20-16/h1-10H,(H,20,21)(H,22,23).
What are the key properties of N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide?
N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide has a molecular weight of 366.22 g/mol, XLogP of 4.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide is sourced from PubChem (CID 11617554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).