N-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate

C43H66F2N8O5 — CID 143630030

IUPACN-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate
SMILESCC(C)CC=O.CCCN(C)Cc1ncc(-c2ccc(-c3ccc(-c4cnc(CN(CC(C)(F)F)C(=O)C(C)C(C)C)[nH]4)cc3)cc2)[nH]1.CN.CNC=O.COC=O
InChIInChI=1S/C33H42F2N6O.C5H10O.C2H5NO.C2H4O2.CH5N/c1-7-16-40(6)19-30-36-17-28(38-30)26-12-8-24(9-13-26)25-10-14-27(15-11-25)29-18-37-31(39-29)20-41(21-33(5,34)35)32(42)23(4)22(2)3;1-5(2)3-4-6;1-3-2-4;1-4-2-3;1-2/h8-15,17-18,22-23H,7,16,19-21H2,1-6H3,(H,36,38)(H,37,39);4-5H,3H2,1-2H3;2H,1H3,(H,3,4);2H,1H3;2H2,1H3
InChIKeyJXSYGLMWMHGSPL-UHFFFAOYSA-N
MW813.05 g/mol
LogP7.21
Rot. Bonds17

About N-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate

N-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate (PubChem CID 143630030) has the molecular formula C43H66F2N8O5 and a molecular weight of 813.05 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate
PubChem CID143630030
Molecular FormulaC43H66F2N8O5
Molecular Weight813.05 g/mol
Exact Mass812.51
IUPAC NameN-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate
SMILESCC(C)CC=O.CCCN(C)Cc1ncc(-c2ccc(-c3ccc(-c4cnc(CN(CC(C)(F)F)C(=O)C(C)C(C)C)[nH]4)cc3)cc2)[nH]1.CN.CNC=O.COC=O
InChIInChI=1S/C33H42F2N6O.C5H10O.C2H5NO.C2H4O2.CH5N/c1-7-16-40(6)19-30-36-17-28(38-30)26-12-8-24(9-13-26)25-10-14-27(15-11-25)29-18-37-31(39-29)20-41(21-33(5,34)35)32(42)23(4)22(2)3;1-5(2)3-4-6;1-3-2-4;1-4-2-3;1-2/h8-15,17-18,22-23H,7,16,19-21H2,1-6H3,(H,36,38)(H,37,39);4-5H,3H2,1-2H3;2H,1H3,(H,3,4);2H,1H3;2H2,1H3
InChIKeyJXSYGLMWMHGSPL-UHFFFAOYSA-N
XLogP7.21
TPSA179.40 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.05
LogP ≤ 57.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate?
The IUPAC name of N-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate (CID 143630030) is N-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate.
What is the SMILES notation for N-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate?
The canonical SMILES for N-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate is CC(C)CC=O.CCCN(C)Cc1ncc(-c2ccc(-c3ccc(-c4cnc(CN(CC(C)(F)F)C(=O)C(C)C(C)C)[nH]4)cc3)cc2)[nH]1.CN.CNC=O.COC=O.
What is the InChIKey of N-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate?
The InChIKey is JXSYGLMWMHGSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42F2N6O.C5H10O.C2H5NO.C2H4O2.CH5N/c1-7-16-40(6)19-30-36-17-28(38-30)26-12-8-24(9-13-26)25-10-14-27(15-11-25)29-18-37-31(39-29)20-41(21-33(5,34)35)32(42)23(4)22(2)3;1-5(2)3-4-6;1-3-2-4;1-4-2-3;1-2/h8-15,17-18,22-23H,7,16,19-21H2,1-6H3,(H,36,38)(H,37,39);4-5H,3H2,1-2H3;2H,1H3,(H,3,4);2H,1H3;2H2,1H3.
What are the key properties of N-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate?
N-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate has a molecular weight of 813.05 g/mol, XLogP of 7.21, 17 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-2,3-dimethyl-N-[[5-[4-[4-[2-[[methyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide;methanamine;3-methylbutanal;N-methylformamide;methyl formate is sourced from PubChem (CID 143630030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).