3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine

C14H22N4 — CID 82332974

IUPAC3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCc1ccc2c(c1)nc(CN)n2CCCN(C)C
InChIInChI=1S/C14H22N4/c1-11-5-6-13-12(9-11)16-14(10-15)18(13)8-4-7-17(2)3/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyRBHDNKAZLRZOTG-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.76
Rot. Bonds5

About 3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine

3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 82332974) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID82332974
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCc1ccc2c(c1)nc(CN)n2CCCN(C)C
InChIInChI=1S/C14H22N4/c1-11-5-6-13-12(9-11)16-14(10-15)18(13)8-4-7-17(2)3/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyRBHDNKAZLRZOTG-UHFFFAOYSA-N
XLogP1.76
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333288
2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82332966
[1-[2-(dimethylamino)ethyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333285
2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333974
2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334711
1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride
CID 51051984
[5-chloro-1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methanethiol
CID 82332768
3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666496
5-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]benzimidazol-2-amine
CID 106035839
3-[2-(aminomethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
CID 96660585
2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol
CID 82333345
3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol
CID 82311836

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine (CID 82332974) is 3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine is Cc1ccc2c(c1)nc(CN)n2CCCN(C)C.
What is the InChIKey of 3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is RBHDNKAZLRZOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11-5-6-13-12(9-11)16-14(10-15)18(13)8-4-7-17(2)3/h5-6,9H,4,7-8,10,15H2,1-3H3.
What are the key properties of 3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 246.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 82332974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).