2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide

C29H30N4O8 — CID 3517088

IUPAC2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2(c3nc4ccccc4[nH]3)CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C29H30N4O8/c1-36-20-11-16(12-21(37-2)25(20)40-5)30-28(35)29(27-31-18-9-7-8-10-19(18)32-27)15-24(34)33(29)17-13-22(38-3)26(41-6)23(14-17)39-4/h7-14H,15H2,1-6H3,(H,30,35)(H,31,32)
InChIKeyHGHFDOPINGIHDF-UHFFFAOYSA-N
MW562.58 g/mol
LogP3.89
Rot. Bonds10

About 2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide

2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide (PubChem CID 3517088) has the molecular formula C29H30N4O8 and a molecular weight of 562.58 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
PubChem CID3517088
Molecular FormulaC29H30N4O8
Molecular Weight562.58 g/mol
Exact Mass562.21
IUPAC Name2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2(c3nc4ccccc4[nH]3)CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C29H30N4O8/c1-36-20-11-16(12-21(37-2)25(20)40-5)30-28(35)29(27-31-18-9-7-8-10-19(18)32-27)15-24(34)33(29)17-13-22(38-3)26(41-6)23(14-17)39-4/h7-14H,15H2,1-6H3,(H,30,35)(H,31,32)
InChIKeyHGHFDOPINGIHDF-UHFFFAOYSA-N
XLogP3.89
TPSA133.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.58
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
CID 3729921
2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
CID 3778887
3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
CID 90505823
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55585273
N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide
CID 17410358
4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4305601
N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 46445811
3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 6004069
methyl 2-(1H-benzimidazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate;hydrochloride
CID 91941964
(3aS)-4-methyl-1,5-dioxo-N-(3,4,5-trimethoxyphenyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
CID 51974851
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2033052

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide (CID 3517088) is 2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide is COc1cc(NC(=O)C2(c3nc4ccccc4[nH]3)CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide?
The InChIKey is HGHFDOPINGIHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O8/c1-36-20-11-16(12-21(37-2)25(20)40-5)30-28(35)29(27-31-18-9-7-8-10-19(18)32-27)15-24(34)33(29)17-13-22(38-3)26(41-6)23(14-17)39-4/h7-14H,15H2,1-6H3,(H,30,35)(H,31,32).
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide?
2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide has a molecular weight of 562.58 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide is sourced from PubChem (CID 3517088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).