N-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide

C35H42Cl2N6O3 — CID 155070573

IUPACN-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide
SMILESCCCN(C)Cc1nc(-c2cc3c4c(c2)OCc2cc(-c5nc(CN(CCC)C(=O)CC(C)CC)[nH]c5Cl)cc(c2-4)OC3)c(Cl)[nH]1
InChIInChI=1S/C35H42Cl2N6O3/c1-6-9-42(5)16-27-38-32(34(36)40-27)21-12-23-18-46-26-15-22(13-24-19-45-25(14-21)30(23)31(24)26)33-35(37)41-28(39-33)17-43(10-7-2)29(44)11-20(4)8-3/h12-15,20H,6-11,16-19H2,1-5H3,(H,38,40)(H,39,41)
InChIKeyIBGJEEXGFSNLQW-UHFFFAOYSA-N
MW665.67 g/mol
LogP8.24
Rot. Bonds13

About N-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide

N-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide (PubChem CID 155070573) has the molecular formula C35H42Cl2N6O3 and a molecular weight of 665.67 g/mol. Its IUPAC name is N-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide.

Molecular Properties

Compound NameN-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide
PubChem CID155070573
Molecular FormulaC35H42Cl2N6O3
Molecular Weight665.67 g/mol
Exact Mass664.27
IUPAC NameN-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide
SMILESCCCN(C)Cc1nc(-c2cc3c4c(c2)OCc2cc(-c5nc(CN(CCC)C(=O)CC(C)CC)[nH]c5Cl)cc(c2-4)OC3)c(Cl)[nH]1
InChIInChI=1S/C35H42Cl2N6O3/c1-6-9-42(5)16-27-38-32(34(36)40-27)21-12-23-18-46-26-15-22(13-24-19-45-25(14-21)30(23)31(24)26)33-35(37)41-28(39-33)17-43(10-7-2)29(44)11-20(4)8-3/h12-15,20H,6-11,16-19H2,1-5H3,(H,38,40)(H,39,41)
InChIKeyIBGJEEXGFSNLQW-UHFFFAOYSA-N
XLogP8.24
TPSA99.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.67
LogP ≤ 58.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide?
The IUPAC name of N-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide (CID 155070573) is N-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide.
What is the SMILES notation for N-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide?
The canonical SMILES for N-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide is CCCN(C)Cc1nc(-c2cc3c4c(c2)OCc2cc(-c5nc(CN(CCC)C(=O)CC(C)CC)[nH]c5Cl)cc(c2-4)OC3)c(Cl)[nH]1.
What is the InChIKey of N-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide?
The InChIKey is IBGJEEXGFSNLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42Cl2N6O3/c1-6-9-42(5)16-27-38-32(34(36)40-27)21-12-23-18-46-26-15-22(13-24-19-45-25(14-21)30(23)31(24)26)33-35(37)41-28(39-33)17-43(10-7-2)29(44)11-20(4)8-3/h12-15,20H,6-11,16-19H2,1-5H3,(H,38,40)(H,39,41).
What are the key properties of N-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide?
N-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide has a molecular weight of 665.67 g/mol, XLogP of 8.24, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-4-[13-[5-chloro-2-[[methyl(propyl)amino]methyl]-1H-imidazol-4-yl]-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-6-yl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylpentanamide is sourced from PubChem (CID 155070573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).