[5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol

C14H15N3O2 — CID 78996710

IUPAC[5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNCc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C14H15N3O2/c18-9-11-6-5-10(19-11)7-15-8-14-16-12-3-1-2-4-13(12)17-14/h1-6,15,18H,7-9H2,(H,16,17)
InChIKeyFIRGWJYWFRXWOD-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.94
Rot. Bonds5

About [5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol

[5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol (PubChem CID 78996710) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is [5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol
PubChem CID78996710
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name[5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNCc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C14H15N3O2/c18-9-11-6-5-10(19-11)7-15-8-14-16-12-3-1-2-4-13(12)17-14/h1-6,15,18H,7-9H2,(H,16,17)
InChIKeyFIRGWJYWFRXWOD-UHFFFAOYSA-N
XLogP1.94
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine
CID 78911310
5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide
CID 79013694
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236
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-bromophenyl)methanamine
CID 78911270
N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine
CID 78911282
4-[(1H-benzimidazol-2-ylmethylamino)methyl]benzene-1,2-diol
CID 78911241
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorothiophen-2-yl)methanamine
CID 79427479
N-[4-(1H-benzimidazol-2-ylmethylamino)butyl]acetamide
CID 126714287

Frequently Asked Questions

What is the IUPAC name of [5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol (CID 78996710) is [5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol is OCc1ccc(CNCc2nc3ccccc3[nH]2)o1.
What is the InChIKey of [5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol?
The InChIKey is FIRGWJYWFRXWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-9-11-6-5-10(19-11)7-15-8-14-16-12-3-1-2-4-13(12)17-14/h1-6,15,18H,7-9H2,(H,16,17).
What are the key properties of [5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol?
[5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol has a molecular weight of 257.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 78996710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).