N-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine

C15H17N3OS — CID 78991552

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
SMILESCSCc1ccc(CNCc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C15H17N3OS/c1-20-10-12-7-6-11(19-12)8-16-9-15-17-13-4-2-3-5-14(13)18-15/h2-7,16H,8-10H2,1H3,(H,17,18)
InChIKeyVFVYSNSFUAJHRZ-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.31
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine

N-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine (PubChem CID 78991552) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
PubChem CID78991552
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
SMILESCSCc1ccc(CNCc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C15H17N3OS/c1-20-10-12-7-6-11(19-12)8-16-9-15-17-13-4-2-3-5-14(13)18-15/h2-7,16H,8-10H2,1H3,(H,17,18)
InChIKeyVFVYSNSFUAJHRZ-UHFFFAOYSA-N
XLogP3.31
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-bromofuran-2-yl)methanamine
CID 78911310
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-cyclopropylmethanamine
CID 43655401
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine
CID 78911270
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
[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[5-(methylsulfanylmethyl)furan-2-yl]methanone
CID 70720168

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine (CID 78991552) is N-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine is CSCc1ccc(CNCc2nc3ccccc3[nH]2)o1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine?
The InChIKey is VFVYSNSFUAJHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-20-10-12-7-6-11(19-12)8-16-9-15-17-13-4-2-3-5-14(13)18-15/h2-7,16H,8-10H2,1H3,(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine?
N-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine has a molecular weight of 287.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine is sourced from PubChem (CID 78991552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).