3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide

C20H21N3O3 — CID 92679900

IUPAC3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1OC
InChIInChI=1S/C20H21N3O3/c1-14-21-10-11-23(14)17-7-4-15(5-8-17)13-22-20(24)16-6-9-18(25-2)19(12-16)26-3/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyDFBQEKDPTIGGQM-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.13
Rot. Bonds6

About 3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide

3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide (PubChem CID 92679900) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
PubChem CID92679900
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1OC
InChIInChI=1S/C20H21N3O3/c1-14-21-10-11-23(14)17-7-4-15(5-8-17)13-22-20(24)16-6-9-18(25-2)19(12-16)26-3/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyDFBQEKDPTIGGQM-UHFFFAOYSA-N
XLogP3.13
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92680069
2-methoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43905420
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide
CID 53159097
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 53159101
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
2-methoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 92673076
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 92673554
3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55728220
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 56863738
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92676444

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide (CID 92679900) is 3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The InChIKey is DFBQEKDPTIGGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-21-10-11-23(14)17-7-4-15(5-8-17)13-22-20(24)16-6-9-18(25-2)19(12-16)26-3/h4-12H,13H2,1-3H3,(H,22,24).
What are the key properties of 3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 92679900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).