methane;(1-methylbenzimidazol-5-yl)methanamine

C10H15N3 — CID 159204423

IUPACmethane;(1-methylbenzimidazol-5-yl)methanamine
SMILESC.Cn1cnc2cc(CN)ccc21
InChIInChI=1S/C9H11N3.CH4/c1-12-6-11-8-4-7(5-10)2-3-9(8)12;/h2-4,6H,5,10H2,1H3;1H4
InChIKeyKPRRNZWSNNKCKD-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.67
Rot. Bonds1

About methane;(1-methylbenzimidazol-5-yl)methanamine

methane;(1-methylbenzimidazol-5-yl)methanamine (PubChem CID 159204423) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is methane;(1-methylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound Namemethane;(1-methylbenzimidazol-5-yl)methanamine
PubChem CID159204423
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Namemethane;(1-methylbenzimidazol-5-yl)methanamine
SMILESC.Cn1cnc2cc(CN)ccc21
InChIInChI=1S/C9H11N3.CH4/c1-12-6-11-8-4-7(5-10)2-3-9(8)12;/h2-4,6H,5,10H2,1H3;1H4
InChIKeyKPRRNZWSNNKCKD-UHFFFAOYSA-N
XLogP1.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
CID 95404460
5-(2-chloroethyl)-1-methylbenzimidazole
CID 82255547
2-[(1-methylbenzimidazol-5-yl)methyl]butan-1-amine
CID 116930918
3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116925164
4-(1-methylbenzimidazol-5-yl)butan-2-amine
CID 82491785
N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115259483
2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)propanenitrile
CID 116927691
2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]butane-1,4-diamine
CID 115202593
[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
CID 115229361
3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115180781

Frequently Asked Questions

What is the IUPAC name of methane;(1-methylbenzimidazol-5-yl)methanamine?
The IUPAC name of methane;(1-methylbenzimidazol-5-yl)methanamine (CID 159204423) is methane;(1-methylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for methane;(1-methylbenzimidazol-5-yl)methanamine?
The canonical SMILES for methane;(1-methylbenzimidazol-5-yl)methanamine is C.Cn1cnc2cc(CN)ccc21.
What is the InChIKey of methane;(1-methylbenzimidazol-5-yl)methanamine?
The InChIKey is KPRRNZWSNNKCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.CH4/c1-12-6-11-8-4-7(5-10)2-3-9(8)12;/h2-4,6H,5,10H2,1H3;1H4.
What are the key properties of methane;(1-methylbenzimidazol-5-yl)methanamine?
methane;(1-methylbenzimidazol-5-yl)methanamine has a molecular weight of 177.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(1-methylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 159204423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).