3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol

C14H21N3O — CID 64811932

IUPAC3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)Cn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C14H21N3O/c1-4-15-12(8-18)7-17-9-16-13-5-10(2)11(3)6-14(13)17/h5-6,9,12,15,18H,4,7-8H2,1-3H3
InChIKeyPXZNVAOTAFRXHQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.62
Rot. Bonds5

About 3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol

3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol (PubChem CID 64811932) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol
PubChem CID64811932
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)Cn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C14H21N3O/c1-4-15-12(8-18)7-17-9-16-13-5-10(2)11(3)6-14(13)17/h5-6,9,12,15,18H,4,7-8H2,1-3H3
InChIKeyPXZNVAOTAFRXHQ-UHFFFAOYSA-N
XLogP1.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol?
The IUPAC name of 3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol (CID 64811932) is 3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol?
The canonical SMILES for 3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol is CCNC(CO)Cn1cnc2cc(C)c(C)cc21.
What is the InChIKey of 3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol?
The InChIKey is PXZNVAOTAFRXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-15-12(8-18)7-17-9-16-13-5-10(2)11(3)6-14(13)17/h5-6,9,12,15,18H,4,7-8H2,1-3H3.
What are the key properties of 3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol?
3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 64811932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).