2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

C16H22N4O2 — CID 848727

IUPAC2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)NCCN1CCOCC1
InChIInChI=1S/C16H22N4O2/c1-13-18-14-4-2-3-5-15(14)20(13)12-16(21)17-6-7-19-8-10-22-11-9-19/h2-5H,6-12H2,1H3,(H,17,21)
InChIKeyKCQGIBSFIBQWKF-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.79
Rot. Bonds5

About 2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 848727) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID848727
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)NCCN1CCOCC1
InChIInChI=1S/C16H22N4O2/c1-13-18-14-4-2-3-5-15(14)20(13)12-16(21)17-6-7-19-8-10-22-11-9-19/h2-5H,6-12H2,1H3,(H,17,21)
InChIKeyKCQGIBSFIBQWKF-UHFFFAOYSA-N
XLogP0.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392643
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
4-[(2-methylbenzimidazol-1-yl)methyl]morpholine
CID 3600029
2-(2-methylbenzimidazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 51190450
N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 51159495
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18120811
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 39854876
2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 10829295
3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 42810075
2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 47049412

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 848727) is 2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is Cc1nc2ccccc2n1CC(=O)NCCN1CCOCC1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is KCQGIBSFIBQWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-13-18-14-4-2-3-5-15(14)20(13)12-16(21)17-6-7-19-8-10-22-11-9-19/h2-5H,6-12H2,1H3,(H,17,21).
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 848727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).