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

C20H22N4O4 — CID 90505823

IUPAC3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc(OC)c1OC
InChIInChI=1S/C20H22N4O4/c1-26-16-8-13(9-17(27-2)18(16)28-3)21-20(25)24-10-12(11-24)19-22-14-6-4-5-7-15(14)23-19/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyJZZOMOFBDXDZLJ-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.22
Rot. Bonds5

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

3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide (PubChem CID 90505823) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
PubChem CID90505823
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc(OC)c1OC
InChIInChI=1S/C20H22N4O4/c1-26-16-8-13(9-17(27-2)18(16)28-3)21-20(25)24-10-12(11-24)19-22-14-6-4-5-7-15(14)23-19/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyJZZOMOFBDXDZLJ-UHFFFAOYSA-N
XLogP3.22
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 90505815
3-(1H-benzimidazol-2-yl)-N-(4-butoxyphenyl)azetidine-1-carboxamide
CID 90505848
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone
CID 46852471
3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 44754575
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide
CID 47041579
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 33112285
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 42932458
N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
CID 3051874
4-(1H-benzimidazol-2-yl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 23605637

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide (CID 90505823) is 3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide is COc1cc(NC(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc(OC)c1OC.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
The InChIKey is JZZOMOFBDXDZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-26-16-8-13(9-17(27-2)18(16)28-3)21-20(25)24-10-12(11-24)19-22-14-6-4-5-7-15(14)23-19/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 90505823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).