N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

C27H28N4O3 — CID 43059032

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCCc2nccn2Cc2ccccc2)ccc1OCc1cccnc1
InChIInChI=1S/C27H28N4O3/c1-2-33-25-17-23(10-11-24(25)34-20-22-9-6-13-28-18-22)27(32)30-14-12-26-29-15-16-31(26)19-21-7-4-3-5-8-21/h3-11,13,15-18H,2,12,14,19-20H2,1H3,(H,30,32)
InChIKeyNOWPXWDTQKZGEV-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.28
Rot. Bonds11

About N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 43059032) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID43059032
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCCc2nccn2Cc2ccccc2)ccc1OCc1cccnc1
InChIInChI=1S/C27H28N4O3/c1-2-33-25-17-23(10-11-24(25)34-20-22-9-6-13-28-18-22)27(32)30-14-12-26-29-15-16-31(26)19-21-7-4-3-5-8-21/h3-11,13,15-18H,2,12,14,19-20H2,1H3,(H,30,32)
InChIKeyNOWPXWDTQKZGEV-UHFFFAOYSA-N
XLogP4.28
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 134027438
N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 134039644
3-ethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39108144
3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 55863222
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide
CID 25358093
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 119556374
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55853763
3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (CID 43059032) is N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)NCCc2nccn2Cc2ccccc2)ccc1OCc1cccnc1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is NOWPXWDTQKZGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-2-33-25-17-23(10-11-24(25)34-20-22-9-6-13-28-18-22)27(32)30-14-12-26-29-15-16-31(26)19-21-7-4-3-5-8-21/h3-11,13,15-18H,2,12,14,19-20H2,1H3,(H,30,32).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 456.55 g/mol, XLogP of 4.28, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 43059032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).