2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine

C13H19N3O — CID 171338197

IUPAC2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine
SMILESCOCCn1c(CCN)nc2cc(C)ccc21
InChIInChI=1S/C13H19N3O/c1-10-3-4-12-11(9-10)15-13(5-6-14)16(12)7-8-17-2/h3-4,9H,5-8,14H2,1-2H3
InChIKeyRQLOJIVRXWVMQV-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.49
Rot. Bonds5

About 2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine

2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine (PubChem CID 171338197) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine
PubChem CID171338197
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine
SMILESCOCCn1c(CCN)nc2cc(C)ccc21
InChIInChI=1S/C13H19N3O/c1-10-3-4-12-11(9-10)15-13(5-6-14)16(12)7-8-17-2/h3-4,9H,5-8,14H2,1-2H3
InChIKeyRQLOJIVRXWVMQV-UHFFFAOYSA-N
XLogP1.49
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole
CID 43660301
2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine
CID 82332923
CID 89044712
CID 89044712
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 60785148
2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82332966
2-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308639
5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine
CID 65284176
2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308773
1-(2-aminoethyl)-5-methylbenzimidazol-2-amine
CID 84771588
2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol
CID 82335008
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82332974

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine (CID 171338197) is 2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine is COCCn1c(CCN)nc2cc(C)ccc21.
What is the InChIKey of 2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine?
The InChIKey is RQLOJIVRXWVMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-3-4-12-11(9-10)15-13(5-6-14)16(12)7-8-17-2/h3-4,9H,5-8,14H2,1-2H3.
What are the key properties of 2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine?
2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine has a molecular weight of 233.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine is sourced from PubChem (CID 171338197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).