N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-propoxybenzamide

C23H26ClN3O3 — CID 27034768

IUPACN-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1OCC
InChIInChI=1S/C23H26ClN3O3/c1-4-14-30-19-11-8-17(15-20(19)29-5-2)23(28)26-21(22-25-12-13-27(22)3)16-6-9-18(24)10-7-16/h6-13,15,21H,4-5,14H2,1-3H3,(H,26,28)/t21-/m0/s1
InChIKeyJRDSGXNEKADCSJ-NRFANRHFSA-N
MW427.93 g/mol
LogP4.78
Rot. Bonds9

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

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-propoxybenzamide (PubChem CID 27034768) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-propoxybenzamide
PubChem CID27034768
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC NameN-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1OCC
InChIInChI=1S/C23H26ClN3O3/c1-4-14-30-19-11-8-17(15-20(19)29-5-2)23(28)26-21(22-25-12-13-27(22)3)16-6-9-18(24)10-7-16/h6-13,15,21H,4-5,14H2,1-3H3,(H,26,28)/t21-/m0/s1
InChIKeyJRDSGXNEKADCSJ-NRFANRHFSA-N
XLogP4.78
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide
CID 27034467
3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide
CID 27034939
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
CID 18284054
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hexoxy-3-methoxybenzamide
CID 55452675
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
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-ethoxyethyl)urea
CID 94042521
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
1-butyl-3-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36961553
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

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-propoxybenzamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-propoxybenzamide (CID 27034768) is N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-propoxybenzamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-propoxybenzamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-propoxybenzamide is CCCOc1ccc(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-ethoxy-4-propoxybenzamide?
The InChIKey is JRDSGXNEKADCSJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-4-14-30-19-11-8-17(15-20(19)29-5-2)23(28)26-21(22-25-12-13-27(22)3)16-6-9-18(24)10-7-16/h6-13,15,21H,4-5,14H2,1-3H3,(H,26,28)/t21-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-propoxybenzamide?
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-propoxybenzamide has a molecular weight of 427.93 g/mol, XLogP of 4.78, 9 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-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 27034768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).