6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide

C31H29Cl2N5O2 — CID 56951871

IUPAC6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)ncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C31H29Cl2N5O2/c32-23-8-6-21(7-9-23)19-38-20-35-28(22-4-2-1-3-5-22)30(38)27-25-11-10-24(33)18-26(25)36-29(27)31(39)34-12-13-37-14-16-40-17-15-37/h1-11,18,20,36H,12-17,19H2,(H,34,39)
InChIKeyIFORBTVIRBZFON-UHFFFAOYSA-N
MW574.51 g/mol
LogP6.12
Rot. Bonds8

About 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide

6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide (PubChem CID 56951871) has the molecular formula C31H29Cl2N5O2 and a molecular weight of 574.51 g/mol. Its IUPAC name is 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
PubChem CID56951871
Molecular FormulaC31H29Cl2N5O2
Molecular Weight574.51 g/mol
Exact Mass573.17
IUPAC Name6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)ncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C31H29Cl2N5O2/c32-23-8-6-21(7-9-23)19-38-20-35-28(22-4-2-1-3-5-22)30(38)27-25-11-10-24(33)18-26(25)36-29(27)31(39)34-12-13-37-14-16-40-17-15-37/h1-11,18,20,36H,12-17,19H2,(H,34,39)
InChIKeyIFORBTVIRBZFON-UHFFFAOYSA-N
XLogP6.12
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.51
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide (CID 56951871) is 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide is O=C(NCCN1CCOCC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)ncn1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide?
The InChIKey is IFORBTVIRBZFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29Cl2N5O2/c32-23-8-6-21(7-9-23)19-38-20-35-28(22-4-2-1-3-5-22)30(38)27-25-11-10-24(33)18-26(25)36-29(27)31(39)34-12-13-37-14-16-40-17-15-37/h1-11,18,20,36H,12-17,19H2,(H,34,39).
What are the key properties of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide?
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 574.51 g/mol, XLogP of 6.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 56951871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).