6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide

C38H37Cl2N9O2 — CID 123205012

IUPAC6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide
SMILESCc1nc(N2CCC(N3CCNC3=O)CC2)c(NC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2CCc2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C38H37Cl2N9O2/c1-23-43-35(36(44-23)47-18-14-28(15-19-47)49-20-16-41-38(49)51)46-37(50)33-31(29-12-11-27(40)21-30(29)45-33)34-32(25-5-3-2-4-6-25)42-22-48(34)17-13-24-7-9-26(39)10-8-24/h2-12,21-22,28,45H,13-20H2,1H3,(H,41,51)(H,43,44)(H,46,50)
InChIKeyCVDIRENNOZXVSD-UHFFFAOYSA-N
MW722.68 g/mol
LogP7.53
Rot. Bonds9

About 6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide

6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide (PubChem CID 123205012) has the molecular formula C38H37Cl2N9O2 and a molecular weight of 722.68 g/mol. Its IUPAC name is 6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide
PubChem CID123205012
Molecular FormulaC38H37Cl2N9O2
Molecular Weight722.68 g/mol
Exact Mass721.24
IUPAC Name6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide
SMILESCc1nc(N2CCC(N3CCNC3=O)CC2)c(NC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2CCc2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C38H37Cl2N9O2/c1-23-43-35(36(44-23)47-18-14-28(15-19-47)49-20-16-41-38(49)51)46-37(50)33-31(29-12-11-27(40)21-30(29)45-33)34-32(25-5-3-2-4-6-25)42-22-48(34)17-13-24-7-9-26(39)10-8-24/h2-12,21-22,28,45H,13-20H2,1H3,(H,41,51)(H,43,44)(H,46,50)
InChIKeyCVDIRENNOZXVSD-UHFFFAOYSA-N
XLogP7.53
TPSA126.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.68
LogP ≤ 57.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide (CID 123205012) is 6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide is Cc1nc(N2CCC(N3CCNC3=O)CC2)c(NC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2CCc2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide?
The InChIKey is CVDIRENNOZXVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37Cl2N9O2/c1-23-43-35(36(44-23)47-18-14-28(15-19-47)49-20-16-41-38(49)51)46-37(50)33-31(29-12-11-27(40)21-30(29)45-33)34-32(25-5-3-2-4-6-25)42-22-48(34)17-13-24-7-9-26(39)10-8-24/h2-12,21-22,28,45H,13-20H2,1H3,(H,41,51)(H,43,44)(H,46,50).
What are the key properties of 6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide?
6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide has a molecular weight of 722.68 g/mol, XLogP of 7.53, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-[2-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-methyl-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-imidazol-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 123205012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).