7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C31H32F3N7O — CID 118113795

IUPAC7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOc1ccccc1Cc1nc2ccc(-c3ccn(C4CCC(N5CCn6cc(C(F)(F)F)nc6C5)CC4)n3)cc2[nH]1
InChIInChI=1S/C31H32F3N7O/c1-42-27-5-3-2-4-21(27)17-29-35-25-11-6-20(16-26(25)36-29)24-12-13-41(38-24)23-9-7-22(8-10-23)39-14-15-40-18-28(31(32,33)34)37-30(40)19-39/h2-6,11-13,16,18,22-23H,7-10,14-15,17,19H2,1H3,(H,35,36)
InChIKeyIQRCNFJTNJQLMT-UHFFFAOYSA-N
MW575.64 g/mol
LogP6.24
Rot. Bonds6

About 7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 118113795) has the molecular formula C31H32F3N7O and a molecular weight of 575.64 g/mol. Its IUPAC name is 7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID118113795
Molecular FormulaC31H32F3N7O
Molecular Weight575.64 g/mol
Exact Mass575.26
IUPAC Name7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOc1ccccc1Cc1nc2ccc(-c3ccn(C4CCC(N5CCn6cc(C(F)(F)F)nc6C5)CC4)n3)cc2[nH]1
InChIInChI=1S/C31H32F3N7O/c1-42-27-5-3-2-4-21(27)17-29-35-25-11-6-20(16-26(25)36-29)24-12-13-41(38-24)23-9-7-22(8-10-23)39-14-15-40-18-28(31(32,33)34)37-30(40)19-39/h2-6,11-13,16,18,22-23H,7-10,14-15,17,19H2,1H3,(H,35,36)
InChIKeyIQRCNFJTNJQLMT-UHFFFAOYSA-N
XLogP6.24
TPSA76.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.64
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 118113795) is 7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is COc1ccccc1Cc1nc2ccc(-c3ccn(C4CCC(N5CCn6cc(C(F)(F)F)nc6C5)CC4)n3)cc2[nH]1.
What is the InChIKey of 7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is IQRCNFJTNJQLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N7O/c1-42-27-5-3-2-4-21(27)17-29-35-25-11-6-20(16-26(25)36-29)24-12-13-41(38-24)23-9-7-22(8-10-23)39-14-15-40-18-28(31(32,33)34)37-30(40)19-39/h2-6,11-13,16,18,22-23H,7-10,14-15,17,19H2,1H3,(H,35,36).
What are the key properties of 7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 575.64 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-1-yl]cyclohexyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 118113795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).