4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide

C19H21N3O3 — CID 109415206

IUPAC4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide
SMILESCc1cc2ncn(CC(O)COc3ccc(C(N)=O)cc3)c2cc1C
InChIInChI=1S/C19H21N3O3/c1-12-7-17-18(8-13(12)2)22(11-21-17)9-15(23)10-25-16-5-3-14(4-6-16)19(20)24/h3-8,11,15,23H,9-10H2,1-2H3,(H2,20,24)
InChIKeyWBBCAXGRAQIIKE-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.19
Rot. Bonds6

About 4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide

4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide (PubChem CID 109415206) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide.

Molecular Properties

Compound Name4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide
PubChem CID109415206
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide
SMILESCc1cc2ncn(CC(O)COc3ccc(C(N)=O)cc3)c2cc1C
InChIInChI=1S/C19H21N3O3/c1-12-7-17-18(8-13(12)2)22(11-21-17)9-15(23)10-25-16-5-3-14(4-6-16)19(20)24/h3-8,11,15,23H,9-10H2,1-2H3,(H2,20,24)
InChIKeyWBBCAXGRAQIIKE-UHFFFAOYSA-N
XLogP2.19
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 17472921
1-[4-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
CID 25352629
(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 742001
4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzonitrile
CID 18087059
3-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzoic acid
CID 1120298
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 766433
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 52501696
ethyl 4-(5,6-dimethylbenzimidazol-1-yl)-3-hydroxybutanoate
CID 82775981
(2R)-1-(2,4-dichlorophenoxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 51873051
[(2S)-1-(4-bromophenoxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-yl] acetate
CID 2197322
1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-2-ol
CID 143201272
(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 25384233

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide?
The IUPAC name of 4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide (CID 109415206) is 4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide.
What is the SMILES notation for 4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide?
The canonical SMILES for 4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide is Cc1cc2ncn(CC(O)COc3ccc(C(N)=O)cc3)c2cc1C.
What is the InChIKey of 4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide?
The InChIKey is WBBCAXGRAQIIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-7-17-18(8-13(12)2)22(11-21-17)9-15(23)10-25-16-5-3-14(4-6-16)19(20)24/h3-8,11,15,23H,9-10H2,1-2H3,(H2,20,24).
What are the key properties of 4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide?
4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide has a molecular weight of 339.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzamide is sourced from PubChem (CID 109415206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).