[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol

C14H19N3O — CID 116944232

IUPAC[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol
SMILESCn1cnc2cc(C(N)C3(CO)CCC3)ccc21
InChIInChI=1S/C14H19N3O/c1-17-9-16-11-7-10(3-4-12(11)17)13(15)14(8-18)5-2-6-14/h3-4,7,9,13,18H,2,5-6,8,15H2,1H3
InChIKeyHFESJFUQZZVCII-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.74
Rot. Bonds3

About [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol

[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol (PubChem CID 116944232) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol
PubChem CID116944232
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol
SMILESCn1cnc2cc(C(N)C3(CO)CCC3)ccc21
InChIInChI=1S/C14H19N3O/c1-17-9-16-11-7-10(3-4-12(11)17)13(15)14(8-18)5-2-6-14/h3-4,7,9,13,18H,2,5-6,8,15H2,1H3
InChIKeyHFESJFUQZZVCII-UHFFFAOYSA-N
XLogP1.74
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(Aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol
CID 11708771
(1R,2R)-1-Amino-1-(5-tert-butyl-1H-benzimidazol-2-yl)propan-2-ol
CID 86699018
(2R)-2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)ethanol
CID 89738675
5,6-Dimethyl-1-benzimidazolemethanol
CID 294532
2-((1,5-dimethyl-1H-benzo[d]imidazol-2-yl)amino)ethanol hydrochloride
CID 6602787
(1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol
CID 44532771
(2R)-2-amino-2-[6-(1-methylcyclopropyl)-1H-benzimidazol-2-yl]ethanol
CID 155516393
(E)-N-hydroxy-3-(1-(3-hydroxypropyl)-1H-benzo[d]imidazol-5-yl)acrylamide
CID 44564880
US10981917, Example 39
CID 135304098
US10981917, Example 15
CID 135304302
3-(5-Methyl-1H-benzoimidazol-2-ylamino)-propan-1-ol
CID 2053602
3-[(1,5-dimethyl-1H-benzimidazol-2-yl)amino]-1-propanol
CID 2901298

Frequently Asked Questions

What is the IUPAC name of [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol (CID 116944232) is [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol is Cn1cnc2cc(C(N)C3(CO)CCC3)ccc21.
What is the InChIKey of [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol?
The InChIKey is HFESJFUQZZVCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-9-16-11-7-10(3-4-12(11)17)13(15)14(8-18)5-2-6-14/h3-4,7,9,13,18H,2,5-6,8,15H2,1H3.
What are the key properties of [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol?
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol has a molecular weight of 245.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116944232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).