2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine

C14H22N4O — CID 82334711

IUPAC2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine
SMILESCCOc1ccc2c(c1)nc(CN)n2CCN(C)C
InChIInChI=1S/C14H22N4O/c1-4-19-11-5-6-13-12(9-11)16-14(10-15)18(13)8-7-17(2)3/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyXWROQCTZTRTZTL-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.46
Rot. Bonds6

About 2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine

2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 82334711) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine
PubChem CID82334711
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine
SMILESCCOc1ccc2c(c1)nc(CN)n2CCN(C)C
InChIInChI=1S/C14H22N4O/c1-4-19-11-5-6-13-12(9-11)16-14(10-15)18(13)8-7-17(2)3/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyXWROQCTZTRTZTL-UHFFFAOYSA-N
XLogP1.46
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine
CID 82334703
2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine
CID 23833489
2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333974
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661
[5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82334694
2-(chloromethyl)-5-ethoxy-1-propylbenzimidazole
CID 82334898
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679
3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82332974
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
CID 80503172
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071
4-[5-ethoxy-2-(sulfanylmethyl)benzimidazol-1-yl]butan-2-one
CID 82334968

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine (CID 82334711) is 2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine is CCOc1ccc2c(c1)nc(CN)n2CCN(C)C.
What is the InChIKey of 2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is XWROQCTZTRTZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-19-11-5-6-13-12(9-11)16-14(10-15)18(13)8-7-17(2)3/h5-6,9H,4,7-8,10,15H2,1-3H3.
What are the key properties of 2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine?
2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 262.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 82334711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).