1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine

C14H21N3O — CID 62536970

IUPAC1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine
SMILESCOCC(C)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C14H21N3O/c1-11(10-18-3)15-8-9-17-12(2)16-13-6-4-5-7-14(13)17/h4-7,11,15H,8-10H2,1-3H3
InChIKeyXSHPDBFDQKSXCJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.97
Rot. Bonds6

About 1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine

1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine (PubChem CID 62536970) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine
PubChem CID62536970
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine
SMILESCOCC(C)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C14H21N3O/c1-11(10-18-3)15-8-9-17-12(2)16-13-6-4-5-7-14(13)17/h4-7,11,15H,8-10H2,1-3H3
InChIKeyXSHPDBFDQKSXCJ-UHFFFAOYSA-N
XLogP1.97
TPSA39.08 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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine
CID 43103364
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine
CID 115707746
(5S)-5-[(2R)-2-[2-(2-methylbenzimidazol-1-yl)ethylamino]propyl]pyrrolidin-2-one
CID 129323268
1-(1-methoxypropan-2-yl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
CID 111031011
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110975119
3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 62839430
1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine
CID 62633045
methyl 2-[2-(2-methylbenzimidazol-1-yl)ethylsulfanyl]propanoate
CID 91659946
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine (CID 62536970) is 1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine is COCC(C)NCCn1c(C)nc2ccccc21.
What is the InChIKey of 1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine?
The InChIKey is XSHPDBFDQKSXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(10-18-3)15-8-9-17-12(2)16-13-6-4-5-7-14(13)17/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of 1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine?
1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 62536970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).