About 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide (PubChem CID 25097197) has the molecular formula C31H29Cl2N5O
and a molecular weight of 558.51 g/mol. Its IUPAC name is 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide.
Molecular Properties
| Compound Name | 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide |
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| PubChem CID | 25097197 |
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| Molecular Formula | C31H29Cl2N5O |
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| Molecular Weight | 558.51 g/mol |
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| Exact Mass | 557.17 |
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| IUPAC Name | 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide |
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| SMILES | CN1CCC(NC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2Cc2ccc(Cl)cc2)CC1 |
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| InChI | InChI=1S/C31H29Cl2N5O/c1-37-15-13-24(14-16-37)35-31(39)29-27(25-12-11-23(33)17-26(25)36-29)30-28(21-5-3-2-4-6-21)34-19-38(30)18-20-7-9-22(32)10-8-20/h2-12,17,19,24,36H,13-16,18H2,1H3,(H,35,39) |
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| InChIKey | FHHZWZNTZMVAPZ-UHFFFAOYSA-N |
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| XLogP | 6.88 |
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| TPSA | 65.95 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 558.51 |
| LogP ≤ 5 | 6.88 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide (CID 25097197) is 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide is CN1CCC(NC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide?
The InChIKey is FHHZWZNTZMVAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29Cl2N5O/c1-37-15-13-24(14-16-37)35-31(39)29-27(25-12-11-23(33)17-26(25)36-29)30-28(21-5-3-2-4-6-21)34-19-38(30)18-20-7-9-22(32)10-8-20/h2-12,17,19,24,36H,13-16,18H2,1H3,(H,35,39).
What are the key properties of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide?
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide has a molecular weight of 558.51 g/mol, XLogP of 6.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 25097197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).