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

C13H20N4O — CID 117039239

IUPAC4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol
SMILESCN(Cc1ccc2nc[nH]c2c1)CC(O)CCN
InChIInChI=1S/C13H20N4O/c1-17(8-11(18)4-5-14)7-10-2-3-12-13(6-10)16-9-15-12/h2-3,6,9,11,18H,4-5,7-8,14H2,1H3,(H,15,16)
InChIKeyLKSSKLZTJGUNAE-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.70
Rot. Bonds6

About 4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol

4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol (PubChem CID 117039239) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol
PubChem CID117039239
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol
SMILESCN(Cc1ccc2nc[nH]c2c1)CC(O)CCN
InChIInChI=1S/C13H20N4O/c1-17(8-11(18)4-5-14)7-10-2-3-12-13(6-10)16-9-15-12/h2-3,6,9,11,18H,4-5,7-8,14H2,1H3,(H,15,16)
InChIKeyLKSSKLZTJGUNAE-UHFFFAOYSA-N
XLogP0.70
TPSA78.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3H-benzimidazol-5-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201335
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoic acid
CID 115218303
2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 117040046
4-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-1-ol
CID 115217708
N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine
CID 117044066
4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol
CID 117039266
methyl 3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoate
CID 115232458
N'-(3H-benzimidazol-5-ylmethyl)-N'-ethylethane-1,2-diamine
CID 103102145
methyl 2-[3H-benzimidazol-5-ylmethyl(methyl)amino]acetate
CID 115232977
3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120132
4-amino-1-[(3-fluorophenyl)methyl-methylamino]butan-2-ol
CID 117039251
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanenitrile
CID 115231013

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol?
The IUPAC name of 4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol (CID 117039239) is 4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol.
What is the SMILES notation for 4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol?
The canonical SMILES for 4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol is CN(Cc1ccc2nc[nH]c2c1)CC(O)CCN.
What is the InChIKey of 4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol?
The InChIKey is LKSSKLZTJGUNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17(8-11(18)4-5-14)7-10-2-3-12-13(6-10)16-9-15-12/h2-3,6,9,11,18H,4-5,7-8,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol?
4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol has a molecular weight of 248.33 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-2-ol is sourced from PubChem (CID 117039239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).