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

C14H18N4O2 — CID 142104705

IUPAC2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
SMILESCc1nc2ccccc2n1CCNC(=O)CN(C)C=O
InChIInChI=1S/C14H18N4O2/c1-11-16-12-5-3-4-6-13(12)18(11)8-7-15-14(20)9-17(2)10-19/h3-6,10H,7-9H2,1-2H3,(H,15,20)
InChIKeyGLYWWDMPLYOBPT-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.55
Rot. Bonds6

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

2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide (PubChem CID 142104705) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
PubChem CID142104705
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
SMILESCc1nc2ccccc2n1CCNC(=O)CN(C)C=O
InChIInChI=1S/C14H18N4O2/c1-11-16-12-5-3-4-6-13(12)18(11)8-7-15-14(20)9-17(2)10-19/h3-6,10H,7-9H2,1-2H3,(H,15,20)
InChIKeyGLYWWDMPLYOBPT-UHFFFAOYSA-N
XLogP0.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47082344
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[methyl-[(3R)-thiolan-3-yl]amino]acetamide
CID 97074619
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
tert-butyl N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]carbamate
CID 40716757
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 40716506
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 18120767
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide (CID 142104705) is 2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide is Cc1nc2ccccc2n1CCNC(=O)CN(C)C=O.
What is the InChIKey of 2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The InChIKey is GLYWWDMPLYOBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-16-12-5-3-4-6-13(12)18(11)8-7-15-14(20)9-17(2)10-19/h3-6,10H,7-9H2,1-2H3,(H,15,20).
What are the key properties of 2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 142104705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).