[2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine

C12H18N4 — CID 65037741

IUPAC[2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine
SMILESCN(C)Cc1nc2cc(CN)ccc2n1C
InChIInChI=1S/C12H18N4/c1-15(2)8-12-14-10-6-9(7-13)4-5-11(10)16(12)3/h4-6H,7-8,13H2,1-3H3
InChIKeyMEOGKVVVAXZFLW-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.09
Rot. Bonds3

About [2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine

[2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine (PubChem CID 65037741) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine
PubChem CID65037741
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name[2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine
SMILESCN(C)Cc1nc2cc(CN)ccc2n1C
InChIInChI=1S/C12H18N4/c1-15(2)8-12-14-10-6-9(7-13)4-5-11(10)16(12)3/h4-6H,7-8,13H2,1-3H3
InChIKeyMEOGKVVVAXZFLW-UHFFFAOYSA-N
XLogP1.09
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine (CID 65037741) is [2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine is CN(C)Cc1nc2cc(CN)ccc2n1C.
What is the InChIKey of [2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine?
The InChIKey is MEOGKVVVAXZFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-15(2)8-12-14-10-6-9(7-13)4-5-11(10)16(12)3/h4-6H,7-8,13H2,1-3H3.
What are the key properties of [2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine?
[2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine has a molecular weight of 218.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 65037741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).