N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine

C13H12BrN3O — CID 78911310

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine
SMILESBrc1ccc(CNCc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C13H12BrN3O/c14-12-6-5-9(18-12)7-15-8-13-16-10-3-1-2-4-11(10)17-13/h1-6,15H,7-8H2,(H,16,17)
InChIKeyZQQINSDWOYVXEO-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.21
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine

N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine (PubChem CID 78911310) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine
PubChem CID78911310
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine
SMILESBrc1ccc(CNCc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C13H12BrN3O/c14-12-6-5-9(18-12)7-15-8-13-16-10-3-1-2-4-11(10)17-13/h1-6,15H,7-8H2,(H,16,17)
InChIKeyZQQINSDWOYVXEO-UHFFFAOYSA-N
XLogP3.21
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol
CID 78996710
N-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
CID 78991552
5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-carboxylic acid
CID 78929695
5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide
CID 79013694
N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine
CID 78911270
1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine
CID 55023348
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine
CID 78911282
N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine
CID 78913462
N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine
CID 79036370
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine (CID 78911310) is N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine is Brc1ccc(CNCc2nc3ccccc3[nH]2)o1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine?
The InChIKey is ZQQINSDWOYVXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-12-6-5-9(18-12)7-15-8-13-16-10-3-1-2-4-11(10)17-13/h1-6,15H,7-8H2,(H,16,17).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine?
N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine has a molecular weight of 306.16 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine is sourced from PubChem (CID 78911310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).