3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide

C22H23Cl2N3O3 — CID 27034939

IUPAC3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1OC
InChIInChI=1S/C22H23Cl2N3O3/c1-4-11-30-20-17(24)12-15(13-18(20)29-3)22(28)26-19(21-25-9-10-27(21)2)14-5-7-16(23)8-6-14/h5-10,12-13,19H,4,11H2,1-3H3,(H,26,28)/t19-/m1/s1
InChIKeyBELHGBQGHXYRDD-LJQANCHMSA-N
MW448.35 g/mol
LogP5.04
Rot. Bonds8

About 3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide

3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide (PubChem CID 27034939) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is 3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide
PubChem CID27034939
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC Name3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1OC
InChIInChI=1S/C22H23Cl2N3O3/c1-4-11-30-20-17(24)12-15(13-18(20)29-3)22(28)26-19(21-25-9-10-27(21)2)14-5-7-16(23)8-6-14/h5-10,12-13,19H,4,11H2,1-3H3,(H,26,28)/t19-/m1/s1
InChIKeyBELHGBQGHXYRDD-LJQANCHMSA-N
XLogP5.04
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.35
LogP ≤ 55.04
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
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
CID 42921444
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide
CID 27034467
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46516165
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 25346145
3-bromo-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide
CID 55453549
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
2-(5-acetyl-2-methoxyphenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 26654459
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropoxy)benzamide
CID 25325512
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-hexoxy-3-methoxybenzamide
CID 55452675

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide (CID 27034939) is 3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1OC.
What is the InChIKey of 3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide?
The InChIKey is BELHGBQGHXYRDD-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c1-4-11-30-20-17(24)12-15(13-18(20)29-3)22(28)26-19(21-25-9-10-27(21)2)14-5-7-16(23)8-6-14/h5-10,12-13,19H,4,11H2,1-3H3,(H,26,28)/t19-/m1/s1.
What are the key properties of 3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide?
3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide has a molecular weight of 448.35 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 27034939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).