N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide

C17H24N4O2 — CID 167983187

IUPACN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCN(Cc1nc2ccccc2n1C)C(=O)CNCC1CCCO1
InChIInChI=1S/C17H24N4O2/c1-20(17(22)11-18-10-13-6-5-9-23-13)12-16-19-14-7-3-4-8-15(14)21(16)2/h3-4,7-8,13,18H,5-6,9-12H2,1-2H3
InChIKeyRTPUCIMBAMWAOZ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.30
Rot. Bonds6

About N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide

N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 167983187) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID167983187
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCN(Cc1nc2ccccc2n1C)C(=O)CNCC1CCCO1
InChIInChI=1S/C17H24N4O2/c1-20(17(22)11-18-10-13-6-5-9-23-13)12-16-19-14-7-3-4-8-15(14)21(16)2/h3-4,7-8,13,18H,5-6,9-12H2,1-2H3
InChIKeyRTPUCIMBAMWAOZ-UHFFFAOYSA-N
XLogP1.30
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide
CID 129401690
N-methyl-N-[(2-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119681688
1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126428709
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111139817
N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119683651
1-methyl-2-[[methyl(oxolan-2-ylmethylcarbamoyl)amino]methyl]-N-propan-2-ylbenzimidazole-5-carboxamide
CID 53104341
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 93418668
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 91764570
2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 166197427
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92869820
3-(2-ethylbenzimidazol-1-yl)-N-methyl-N-(oxan-2-ylmethyl)propanamide
CID 91835857
1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 124684087

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide (CID 167983187) is N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide is CN(Cc1nc2ccccc2n1C)C(=O)CNCC1CCCO1.
What is the InChIKey of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is RTPUCIMBAMWAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-20(17(22)11-18-10-13-6-5-9-23-13)12-16-19-14-7-3-4-8-15(14)21(16)2/h3-4,7-8,13,18H,5-6,9-12H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide?
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 316.40 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 167983187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).