1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol

C14H21N3O2 — CID 79750661

IUPAC1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
SMILESCOCCNCC(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C14H21N3O2/c1-17-13-6-4-3-5-12(13)16-14(17)9-11(18)10-15-7-8-19-2/h3-6,11,15,18H,7-10H2,1-2H3
InChIKeyLWQSFRRYOHGJJT-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.71
Rot. Bonds7

About 1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol

1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol (PubChem CID 79750661) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
PubChem CID79750661
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
SMILESCOCCNCC(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C14H21N3O2/c1-17-13-6-4-3-5-12(13)16-14(17)9-11(18)10-15-7-8-19-2/h3-6,11,15,18H,7-10H2,1-2H3
InChIKeyLWQSFRRYOHGJJT-UHFFFAOYSA-N
XLogP0.71
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
CID 79750517
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol
CID 79753857
1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 79818238
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753545
3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
CID 66176732
1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79755900
1-(1-methoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 103560180
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 79754356
1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol
CID 79755905
5-methoxy-N-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79751232

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol (CID 79750661) is 1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol is COCCNCC(O)Cc1nc2ccccc2n1C.
What is the InChIKey of 1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is LWQSFRRYOHGJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17-13-6-4-3-5-12(13)16-14(17)9-11(18)10-15-7-8-19-2/h3-6,11,15,18H,7-10H2,1-2H3.
What are the key properties of 1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 263.34 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79750661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).