N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide

C13H17N3O — CID 115191346

IUPACN-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide
SMILESCC(=O)N(C)CCc1ccc2c(c1)ncn2C
InChIInChI=1S/C13H17N3O/c1-10(17)15(2)7-6-11-4-5-13-12(8-11)14-9-16(13)3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyZFRMSKGYJPVJKV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.59
Rot. Bonds3

About N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide

N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide (PubChem CID 115191346) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide
PubChem CID115191346
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide
SMILESCC(=O)N(C)CCc1ccc2c(c1)ncn2C
InChIInChI=1S/C13H17N3O/c1-10(17)15(2)7-6-11-4-5-13-12(8-11)14-9-16(13)3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyZFRMSKGYJPVJKV-UHFFFAOYSA-N
XLogP1.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-methyl-1-[2-(1-methylbenzimidazol-5-yl)ethyl]urea
CID 115193077
3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115139454
3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115153099
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
5-(2-chloroethyl)-1-methylbenzimidazole
CID 82255547
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]acetic acid
CID 115218062
2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115214975
2-[methyl-[(1-methylbenzimidazol-5-yl)methyl]amino]propanoic acid
CID 117041964

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide?
The IUPAC name of N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide (CID 115191346) is N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide is CC(=O)N(C)CCc1ccc2c(c1)ncn2C.
What is the InChIKey of N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide?
The InChIKey is ZFRMSKGYJPVJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(17)15(2)7-6-11-4-5-13-12(8-11)14-9-16(13)3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide?
N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide has a molecular weight of 231.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 115191346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).