N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide

C28H26Cl2N4O2 — CID 46146270

IUPACN-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide
SMILESCc1ccccc1C(=O)N(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(Cl)c1)C(C)C
InChIInChI=1S/C28H26Cl2N4O2/c1-18(2)33(27(36)24-10-5-4-7-19(24)3)17-26(35)32-28-31-25(20-11-13-21(29)14-12-20)16-34(28)23-9-6-8-22(30)15-23/h4-16,18H,17H2,1-3H3,(H,31,32,35)
InChIKeyYXAJPUYQTZHPIA-UHFFFAOYSA-N
MW521.45 g/mol
LogP6.64
Rot. Bonds7

About N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide

N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide (PubChem CID 46146270) has the molecular formula C28H26Cl2N4O2 and a molecular weight of 521.45 g/mol. Its IUPAC name is N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide
PubChem CID46146270
Molecular FormulaC28H26Cl2N4O2
Molecular Weight521.45 g/mol
Exact Mass520.14
IUPAC NameN-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide
SMILESCc1ccccc1C(=O)N(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(Cl)c1)C(C)C
InChIInChI=1S/C28H26Cl2N4O2/c1-18(2)33(27(36)24-10-5-4-7-19(24)3)17-26(35)32-28-31-25(20-11-13-21(29)14-12-20)16-34(28)23-9-6-8-22(30)15-23/h4-16,18H,17H2,1-3H3,(H,31,32,35)
InChIKeyYXAJPUYQTZHPIA-UHFFFAOYSA-N
XLogP6.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.45
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide (CID 46146270) is N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide is Cc1ccccc1C(=O)N(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(Cl)c1)C(C)C.
What is the InChIKey of N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is YXAJPUYQTZHPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O2/c1-18(2)33(27(36)24-10-5-4-7-19(24)3)17-26(35)32-28-31-25(20-11-13-21(29)14-12-20)16-34(28)23-9-6-8-22(30)15-23/h4-16,18H,17H2,1-3H3,(H,31,32,35).
What are the key properties of N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide?
N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 521.45 g/mol, XLogP of 6.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 46146270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).