ethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate

C22H26N4O5 — CID 22433283

IUPACethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc3c(cc2NC(=O)c2ccco2)n(C)c(=O)n3C)CC1
InChIInChI=1S/C22H26N4O5/c1-4-30-21(28)14-7-9-26(10-8-14)16-13-18-17(24(2)22(29)25(18)3)12-15(16)23-20(27)19-6-5-11-31-19/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,27)
InChIKeyRVBSZMGDRSUFTD-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.50
Rot. Bonds5

About ethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate

ethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate (PubChem CID 22433283) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is ethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
PubChem CID22433283
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Nameethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc3c(cc2NC(=O)c2ccco2)n(C)c(=O)n3C)CC1
InChIInChI=1S/C22H26N4O5/c1-4-30-21(28)14-7-9-26(10-8-14)16-13-18-17(24(2)22(29)25(18)3)12-15(16)23-20(27)19-6-5-11-31-19/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,27)
InChIKeyRVBSZMGDRSUFTD-UHFFFAOYSA-N
XLogP2.50
TPSA98.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[6-[(2-bromobenzoyl)amino]-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
CID 24789848
ethyl 1-[1,3-dimethyl-6-[(4-methylphenyl)carbamoylamino]-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
CID 50791911
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)furan-2-carboxamide
CID 22433222
ethyl 1-[6-[(2,4-dimethylphenyl)carbamoylamino]-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
CID 50791937
ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
CID 46390547
ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate
CID 27555217
ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 78780464
N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)furan-2-carboxamide
CID 50824815
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide
CID 110785347
ethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate
CID 93479341
ethyl 1-[(2-chlorophenyl)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]methyl]piperidine-4-carboxylate
CID 46740242
ethyl 1-[[2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]piperidine-4-carboxylate
CID 46740263

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate (CID 22433283) is ethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)c2ccco2)n(C)c(=O)n3C)CC1.
What is the InChIKey of ethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate?
The InChIKey is RVBSZMGDRSUFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-4-30-21(28)14-7-9-26(10-8-14)16-13-18-17(24(2)22(29)25(18)3)12-15(16)23-20(27)19-6-5-11-31-19/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,27).
What are the key properties of ethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate?
ethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate has a molecular weight of 426.47 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate is sourced from PubChem (CID 22433283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).