2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol

C13H19N3O — CID 115250690

IUPAC2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-3-10(8-17)7-16(2)11-4-5-12-13(6-11)15-9-14-12/h4-6,9-10,17H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyBGNRICNIVVDSRK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.02
Rot. Bonds5

About 2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol

2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol (PubChem CID 115250690) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol
PubChem CID115250690
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-3-10(8-17)7-16(2)11-4-5-12-13(6-11)15-9-14-12/h4-6,9-10,17H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyBGNRICNIVVDSRK-UHFFFAOYSA-N
XLogP2.02
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3H-benzimidazol-5-yl(methyl)amino]ethanol
CID 115216158
N-(3-chloropropyl)-N-methyl-3H-benzimidazol-5-amine
CID 115215551
4-[3H-benzimidazol-5-yl(methyl)amino]butanenitrile
CID 115231610
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291
N-(3H-benzimidazol-5-yl)-N-methylacetamide
CID 110869162
2-[(N-methyl-4-methylsulfanylanilino)methyl]butan-1-ol
CID 115250682
2-[3H-benzimidazol-5-yl(methyl)amino]-2-oxoacetic acid
CID 115141264
2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138063
6-pentan-3-yl-1H-benzimidazole
CID 134401277
N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide
CID 110869221
6-[2-(hydroxymethyl)butyl-methylamino]-4H-1,4-benzoxazin-3-one
CID 115250676
N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide
CID 110866861

Frequently Asked Questions

What is the IUPAC name of 2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol (CID 115250690) is 2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol is CCC(CO)CN(C)c1ccc2nc[nH]c2c1.
What is the InChIKey of 2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol?
The InChIKey is BGNRICNIVVDSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-10(8-17)7-16(2)11-4-5-12-13(6-11)15-9-14-12/h4-6,9-10,17H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol?
2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 115250690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).