[5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine

C15H22N4 — CID 117399888

IUPAC[5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCc1nc2ccc(C3CC(CN)CN3C)cc2n1C
InChIInChI=1S/C15H22N4/c1-10-17-13-5-4-12(7-15(13)19(10)3)14-6-11(8-16)9-18(14)2/h4-5,7,11,14H,6,8-9,16H2,1-3H3
InChIKeyOJBHWGRUHRVGCC-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.83
Rot. Bonds2

About [5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine

[5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117399888) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is [5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117399888
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name[5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCc1nc2ccc(C3CC(CN)CN3C)cc2n1C
InChIInChI=1S/C15H22N4/c1-10-17-13-5-4-12(7-15(13)19(10)3)14-6-11(8-16)9-18(14)2/h4-5,7,11,14H,6,8-9,16H2,1-3H3
InChIKeyOJBHWGRUHRVGCC-UHFFFAOYSA-N
XLogP1.83
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-methyl-5-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)pyrrolidin-3-yl]methanamine
CID 117462144
[1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine
CID 117431684
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one
CID 117438743
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
CID 117314847
[1-methyl-5-(4-methyl-3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 117379928
[1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine
CID 117429401
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline
CID 117339423
[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine
CID 117420358
[5-(3-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434115
[5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117418091
[1-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine
CID 117429396
[5-(1,3-benzoxathiol-6-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117379769

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 117399888) is [5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine is Cc1nc2ccc(C3CC(CN)CN3C)cc2n1C.
What is the InChIKey of [5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is OJBHWGRUHRVGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10-17-13-5-4-12(7-15(13)19(10)3)14-6-11(8-16)9-18(14)2/h4-5,7,11,14H,6,8-9,16H2,1-3H3.
What are the key properties of [5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 258.37 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117399888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).