ethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate

C20H22N4O4 — CID 118909548

IUPACethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate
SMILESCCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(OC)n2C)c1ccccn1
InChIInChI=1S/C20H22N4O4/c1-4-28-18(25)10-12-24(17-7-5-6-11-21-17)19(26)14-8-9-16-15(13-14)22-20(27-3)23(16)2/h5-9,11,13H,4,10,12H2,1-3H3
InChIKeyVJTLKPRJSUDVIA-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.58
Rot. Bonds7

About ethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate

ethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate (PubChem CID 118909548) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is ethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate
PubChem CID118909548
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Nameethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate
SMILESCCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(OC)n2C)c1ccccn1
InChIInChI=1S/C20H22N4O4/c1-4-28-18(25)10-12-24(17-7-5-6-11-21-17)19(26)14-8-9-16-15(13-14)22-20(27-3)23(16)2/h5-9,11,13H,4,10,12H2,1-3H3
InChIKeyVJTLKPRJSUDVIA-UHFFFAOYSA-N
XLogP2.58
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-[(1-methyl-2-propan-2-ylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate
CID 118909549
methyl 3-[(1,2-dimethylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate
CID 86298230
ethyl 3-[[2-[(2-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CID 123420300
ethyl 3-[[2-[(4-methanimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CID 139572925
ethyl 3-[[2-[[4-[(E)-N'-hydroxycarbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CID 10031681
ethyl 3-[[2-[[4-[(Z)-N'-methoxycarbonylcarbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CID 10347703
ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;hydrobromide
CID 24999987
ethyl 3-[[2-[(4-methanehydrazonoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;hydrochloride
CID 77174694
ethyl 3-[[2-[[4-(N'-acetylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CID 58510222
ethyl 3-[[2-[[[(2E,4E)-5-cyanohexa-2,4-dien-2-yl]amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CID 142858785
ethanol;ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;hydrochloride
CID 45280064
ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate
CID 141002175

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate?
The IUPAC name of ethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate (CID 118909548) is ethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate.
What is the SMILES notation for ethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate?
The canonical SMILES for ethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate is CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(OC)n2C)c1ccccn1.
What is the InChIKey of ethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate?
The InChIKey is VJTLKPRJSUDVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-4-28-18(25)10-12-24(17-7-5-6-11-21-17)19(26)14-8-9-16-15(13-14)22-20(27-3)23(16)2/h5-9,11,13H,4,10,12H2,1-3H3.
What are the key properties of ethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate?
ethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate has a molecular weight of 382.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-methoxy-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate is sourced from PubChem (CID 118909548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).