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

C14H21N3O — CID 82359653

IUPAC3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
SMILESCCNc1nc2cc(C)c(C)cc2n1CCCO
InChIInChI=1S/C14H21N3O/c1-4-15-14-16-12-8-10(2)11(3)9-13(12)17(14)6-5-7-18/h8-9,18H,4-7H2,1-3H3,(H,15,16)
InChIKeyGYYMYRBHURLVCN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.47
Rot. Bonds5

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

3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol (PubChem CID 82359653) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
PubChem CID82359653
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
SMILESCCNc1nc2cc(C)c(C)cc2n1CCCO
InChIInChI=1S/C14H21N3O/c1-4-15-14-16-12-8-10(2)11(3)9-13(12)17(14)6-5-7-18/h8-9,18H,4-7H2,1-3H3,(H,15,16)
InChIKeyGYYMYRBHURLVCN-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoic acid
CID 82359658
3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 94756196
3-(2-cyclohexyl-5,6-dimethylbenzimidazol-1-yl)propan-1-ol
CID 82149547
2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol
CID 82149314
2-[2-(3-hydroxypropylamino)-5,6-dimethylbenzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 53338454
N-ethyl-5,6-dimethoxy-1-(3-methylbutyl)benzimidazol-2-amine
CID 82359675
3-[2-(2-cyclohexylethyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 94756198
2-[2-(3-hydroxypropylamino)-5,6-dimethylbenzimidazol-1-yl]-1-thiophen-2-ylethanone;hydrobromide
CID 163331363
3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 21188655
methyl 2-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoate
CID 82359619
3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82145072
2,5,6-trimethyl-1-propylbenzimidazole
CID 23609987

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol (CID 82359653) is 3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol is CCNc1nc2cc(C)c(C)cc2n1CCCO.
What is the InChIKey of 3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol?
The InChIKey is GYYMYRBHURLVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-15-14-16-12-8-10(2)11(3)9-13(12)17(14)6-5-7-18/h8-9,18H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol?
3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 82359653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).