2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine

C14H21N3O — CID 55148203

IUPAC2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine
SMILESCCOC(CN)CCn1c(C)nc2ccccc21
InChIInChI=1S/C14H21N3O/c1-3-18-12(10-15)8-9-17-11(2)16-13-6-4-5-7-14(13)17/h4-7,12H,3,8-10,15H2,1-2H3
InChIKeyVUSYKBKJPQNOIW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.10
Rot. Bonds6

About 2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine

2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine (PubChem CID 55148203) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine
PubChem CID55148203
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine
SMILESCCOC(CN)CCn1c(C)nc2ccccc21
InChIInChI=1S/C14H21N3O/c1-3-18-12(10-15)8-9-17-11(2)16-13-6-4-5-7-14(13)17/h4-7,12H,3,8-10,15H2,1-2H3
InChIKeyVUSYKBKJPQNOIW-UHFFFAOYSA-N
XLogP2.10
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-(2-methylindol-1-yl)butan-1-amine
CID 63069922
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
3-(2-methylbenzimidazol-1-yl)-1-phenylpropan-1-ol
CID 3689671
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
1-(3-amino-2-ethoxypropyl)quinoxalin-2-one
CID 63071589
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
4-(2-methylbenzimidazol-1-yl)butanenitrile
CID 24690449
1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111516745
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
3-(2-methylbenzimidazol-1-yl)propanal
CID 63041699
1-(2,2-dimethoxyethyl)-2-methylbenzimidazole
CID 66222131

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine (CID 55148203) is 2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine is CCOC(CN)CCn1c(C)nc2ccccc21.
What is the InChIKey of 2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine?
The InChIKey is VUSYKBKJPQNOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-18-12(10-15)8-9-17-11(2)16-13-6-4-5-7-14(13)17/h4-7,12H,3,8-10,15H2,1-2H3.
What are the key properties of 2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine?
2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine is sourced from PubChem (CID 55148203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).