azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine

C12H16N4 — CID 116935373

IUPACazetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine
SMILESCn1cnc2cc(C(N)C3CNC3)ccc21
InChIInChI=1S/C12H16N4/c1-16-7-15-10-4-8(2-3-11(10)16)12(13)9-5-14-6-9/h2-4,7,9,12,14H,5-6,13H2,1H3
InChIKeyPYRDENYHUOYLPA-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.79
Rot. Bonds2

About azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine

azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine (PubChem CID 116935373) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound Nameazetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine
PubChem CID116935373
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Nameazetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine
SMILESCn1cnc2cc(C(N)C3CNC3)ccc21
InChIInChI=1S/C12H16N4/c1-16-7-15-10-4-8(2-3-11(10)16)12(13)9-5-14-6-9/h2-4,7,9,12,14H,5-6,13H2,1H3
InChIKeyPYRDENYHUOYLPA-UHFFFAOYSA-N
XLogP0.79
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine
CID 116941045
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 82396347
5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole
CID 139905735
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol
CID 116943274
3-amino-2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)propanenitrile
CID 116940438
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol
CID 116944232
1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol
CID 82500614
N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116964360
6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene
CID 68645865
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 116957549
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116957399

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine?
The IUPAC name of azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine (CID 116935373) is azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine?
The canonical SMILES for azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine is Cn1cnc2cc(C(N)C3CNC3)ccc21.
What is the InChIKey of azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine?
The InChIKey is PYRDENYHUOYLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16-7-15-10-4-8(2-3-11(10)16)12(13)9-5-14-6-9/h2-4,7,9,12,14H,5-6,13H2,1H3.
What are the key properties of azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine?
azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine has a molecular weight of 216.29 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 116935373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).