1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide

C23H28F2N4O2 — CID 112815461

IUPAC1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)N(C)Cc1nccn1C(F)F)c(C)n2C1CCCCC1
InChIInChI=1S/C23H28F2N4O2/c1-15-21(22(30)27(2)14-20-26-11-12-28(20)23(24)25)18-13-17(31-3)9-10-19(18)29(15)16-7-5-4-6-8-16/h9-13,16,23H,4-8,14H2,1-3H3
InChIKeyBDMQNCINPIHHJU-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.33
Rot. Bonds6

About 1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide

1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide (PubChem CID 112815461) has the molecular formula C23H28F2N4O2 and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide
PubChem CID112815461
Molecular FormulaC23H28F2N4O2
Molecular Weight430.50 g/mol
Exact Mass430.22
IUPAC Name1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)N(C)Cc1nccn1C(F)F)c(C)n2C1CCCCC1
InChIInChI=1S/C23H28F2N4O2/c1-15-21(22(30)27(2)14-20-26-11-12-28(20)23(24)25)18-13-17(31-3)9-10-19(18)29(15)16-7-5-4-6-8-16/h9-13,16,23H,4-8,14H2,1-3H3
InChIKeyBDMQNCINPIHHJU-UHFFFAOYSA-N
XLogP5.33
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide (CID 112815461) is 1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide is COc1ccc2c(c1)c(C(=O)N(C)Cc1nccn1C(F)F)c(C)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide?
The InChIKey is BDMQNCINPIHHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O2/c1-15-21(22(30)27(2)14-20-26-11-12-28(20)23(24)25)18-13-17(31-3)9-10-19(18)29(15)16-7-5-4-6-8-16/h9-13,16,23H,4-8,14H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide?
1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide is sourced from PubChem (CID 112815461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).