N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide

C22H24ClN3O3 — CID 27034467

IUPACN-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1OCC
InChIInChI=1S/C22H24ClN3O3/c1-4-28-18-11-8-16(14-19(18)29-5-2)22(27)25-20(21-24-12-13-26(21)3)15-6-9-17(23)10-7-15/h6-14,20H,4-5H2,1-3H3,(H,25,27)/t20-/m0/s1
InChIKeyQATPUBSXGUQZEG-FQEVSTJZSA-N
MW413.91 g/mol
LogP4.39
Rot. Bonds8

About N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide (PubChem CID 27034467) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide
PubChem CID27034467
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC NameN-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1OCC
InChIInChI=1S/C22H24ClN3O3/c1-4-28-18-11-8-16(14-19(18)29-5-2)22(27)25-20(21-24-12-13-26(21)3)15-6-9-17(23)10-7-15/h6-14,20H,4-5H2,1-3H3,(H,25,27)/t20-/m0/s1
InChIKeyQATPUBSXGUQZEG-FQEVSTJZSA-N
XLogP4.39
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-propoxybenzamide
CID 27034768
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
CID 18284054
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropoxy)benzamide
CID 25325512
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-ethoxypyridine-3-carboxamide
CID 41037851
3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide
CID 27034939
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 27034422
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 25325592
1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-ethoxyethyl)urea
CID 94042521
N-[2-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 25358256

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide (CID 27034467) is N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1OCC.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide?
The InChIKey is QATPUBSXGUQZEG-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-4-28-18-11-8-16(14-19(18)29-5-2)22(27)25-20(21-24-12-13-26(21)3)15-6-9-17(23)10-7-15/h6-14,20H,4-5H2,1-3H3,(H,25,27)/t20-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide?
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide has a molecular weight of 413.91 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 27034467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).