[1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol

C15H21N3O — CID 115246752

IUPAC[1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol
SMILESCc1nc2cc(NCC3(CO)CCC3)ccc2n1C
InChIInChI=1S/C15H21N3O/c1-11-17-13-8-12(4-5-14(13)18(11)2)16-9-15(10-19)6-3-7-15/h4-5,8,16,19H,3,6-7,9-10H2,1-2H3
InChIKeyWZDMDFVXXHYJQC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.46
Rot. Bonds4

About [1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol

[1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol (PubChem CID 115246752) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol
PubChem CID115246752
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol
SMILESCc1nc2cc(NCC3(CO)CCC3)ccc2n1C
InChIInChI=1S/C15H21N3O/c1-11-17-13-8-12(4-5-14(13)18(11)2)16-9-15(10-19)6-3-7-15/h4-5,8,16,19H,3,6-7,9-10H2,1-2H3
InChIKeyWZDMDFVXXHYJQC-UHFFFAOYSA-N
XLogP2.46
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((1-methyl-1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol
CID 2772787
2-[5-amino-2-(4-aminophenyl)-1H-benzimidazol-1-yl]ethanol
CID 1160409
1-Cyclohexyl-2-methyl-1H-benzo[d]imidazol-5-amine dihydrochloride
CID 16192627
CID 16195263
CID 16195263
3-[(1-methyl-1H-1,3-benzodiazol-2-yl)amino]propan-1-ol
CID 2952410
2-Cyclohexyl-1-methyl-1H-benzoimidazol-5-ylamine
CID 6487593
1-Ethyl-2-methyl-1H-benzoimidazol-5-ylamine hydrochloride
CID 16192642
1,2-Dimethyl-1H-benzimidazol-5-amine
CID 965355
N-cyclopropyl-N'-(1,2-dimethyl-1H-benzimidazol-5-yl)urea
CID 894433
N-(tert-butyl)-N'-(1,2-dimethyl-1H-benzimidazol-5-yl)urea
CID 900415
3-(1-Isopropyl-1H-benzimidazol-2-YL)propan-1-OL
CID 2892111
(2R)-2-[[7-(benzylamino)-3-isopropyl-benzimidazol-5-yl]amino]propan-1-ol
CID 44143082

Frequently Asked Questions

What is the IUPAC name of [1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol (CID 115246752) is [1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol is Cc1nc2cc(NCC3(CO)CCC3)ccc2n1C.
What is the InChIKey of [1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol?
The InChIKey is WZDMDFVXXHYJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-17-13-8-12(4-5-14(13)18(11)2)16-9-15(10-19)6-3-7-15/h4-5,8,16,19H,3,6-7,9-10H2,1-2H3.
What are the key properties of [1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol?
[1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol has a molecular weight of 259.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 115246752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).