6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile

C25H16Cl2N4 — CID 66987515

IUPAC6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile
SMILESN#Cc1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)ncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H16Cl2N4/c26-18-8-6-16(7-9-18)14-31-15-29-24(17-4-2-1-3-5-17)25(31)23-20-11-10-19(27)12-21(20)30-22(23)13-28/h1-12,15,30H,14H2
InChIKeyKHCMWPIJYBOJSM-UHFFFAOYSA-N
MW443.34 g/mol
LogP6.93
Rot. Bonds4

About 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile

6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile (PubChem CID 66987515) has the molecular formula C25H16Cl2N4 and a molecular weight of 443.34 g/mol. Its IUPAC name is 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile.

Molecular Properties

Compound Name6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile
PubChem CID66987515
Molecular FormulaC25H16Cl2N4
Molecular Weight443.34 g/mol
Exact Mass442.08
IUPAC Name6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile
SMILESN#Cc1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)ncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H16Cl2N4/c26-18-8-6-16(7-9-18)14-31-15-29-24(17-4-2-1-3-5-17)25(31)23-20-11-10-19(27)12-21(20)30-22(23)13-28/h1-12,15,30H,14H2
InChIKeyKHCMWPIJYBOJSM-UHFFFAOYSA-N
XLogP6.93
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.34
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile?
The IUPAC name of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile (CID 66987515) is 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile.
What is the SMILES notation for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile?
The canonical SMILES for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile is N#Cc1[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]-1H-indole-2-carbonitrile?
The InChIKey is KHCMWPIJYBOJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2N4/c26-18-8-6-16(7-9-18)14-31-15-29-24(17-4-2-1-3-5-17)25(31)23-20-11-10-19(27)12-21(20)30-22(23)13-28/h1-12,15,30H,14H2.
What are the key properties of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile?
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile has a molecular weight of 443.34 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile is sourced from PubChem (CID 66987515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).