3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide

C14H19N3O2 — CID 115139454

IUPAC3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
SMILESCN(CCc1ccc2c(c1)ncn2C)C(=O)CCO
InChIInChI=1S/C14H19N3O2/c1-16(14(19)6-8-18)7-5-11-3-4-13-12(9-11)15-10-17(13)2/h3-4,9-10,18H,5-8H2,1-2H3
InChIKeyQXRKTHAWERMPHG-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.96
Rot. Bonds5

About 3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide

3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide (PubChem CID 115139454) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
PubChem CID115139454
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
SMILESCN(CCc1ccc2c(c1)ncn2C)C(=O)CCO
InChIInChI=1S/C14H19N3O2/c1-16(14(19)6-8-18)7-5-11-3-4-13-12(9-11)15-10-17(13)2/h3-4,9-10,18H,5-8H2,1-2H3
InChIKeyQXRKTHAWERMPHG-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115153099
N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide
CID 115191346
3-amino-1-methyl-1-[2-(1-methylbenzimidazol-5-yl)ethyl]urea
CID 115193077
N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115262441
N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115259070
3-amino-1-methyl-1-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 115192819
2-hydroxy-N,2-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]propanamide
CID 115178873
4-(1-methylbenzimidazol-5-yl)butanehydrazide
CID 116843638
5-(2-chloroethyl)-1-methylbenzimidazole
CID 82255547
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
CID 115229361
2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid
CID 115218062

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide (CID 115139454) is 3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide is CN(CCc1ccc2c(c1)ncn2C)C(=O)CCO.
What is the InChIKey of 3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide?
The InChIKey is QXRKTHAWERMPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16(14(19)6-8-18)7-5-11-3-4-13-12(9-11)15-10-17(13)2/h3-4,9-10,18H,5-8H2,1-2H3.
What are the key properties of 3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide?
3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide has a molecular weight of 261.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 115139454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).