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

C15H22N4O2 — CID 119890038

IUPAC2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
SMILESCOCCNCC(=O)NC(C)c1nc2ccccc2n1C
InChIInChI=1S/C15H22N4O2/c1-11(17-14(20)10-16-8-9-21-3)15-18-12-6-4-5-7-13(12)19(15)2/h4-7,11,16H,8-10H2,1-3H3,(H,17,20)
InChIKeyTVNGUMDAICRRMR-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.99
Rot. Bonds7

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

2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide (PubChem CID 119890038) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
PubChem CID119890038
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
SMILESCOCCNCC(=O)NC(C)c1nc2ccccc2n1C
InChIInChI=1S/C15H22N4O2/c1-11(17-14(20)10-16-8-9-21-3)15-18-12-6-4-5-7-13(12)19(15)2/h4-7,11,16H,8-10H2,1-3H3,(H,17,20)
InChIKeyTVNGUMDAICRRMR-UHFFFAOYSA-N
XLogP0.99
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 95772905
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
2-acetyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 124608305
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
2-(4-ethylpiperazin-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 131944683
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 124571675
methyl 1-[[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylate
CID 99636066
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide (CID 119890038) is 2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide is COCCNCC(=O)NC(C)c1nc2ccccc2n1C.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide?
The InChIKey is TVNGUMDAICRRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11(17-14(20)10-16-8-9-21-3)15-18-12-6-4-5-7-13(12)19(15)2/h4-7,11,16H,8-10H2,1-3H3,(H,17,20).
What are the key properties of 2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide?
2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide has a molecular weight of 290.37 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 119890038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).