tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C48H51ClN10O3 — CID 159950215

IUPACtert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)(C)OC(=O)N1CCc2c(ncn2-c2ccccc2)C1.O=C(Nc1cccc(Cl)c1)N1CCc2c(ncn2-c2ccccc2)C1.c1ccc(-n2cnc3c2CCNC3)cc1
InChIInChI=1S/C19H17ClN4O.C17H21N3O2.C12H13N3/c20-14-5-4-6-15(11-14)22-19(25)23-10-9-18-17(12-23)21-13-24(18)16-7-2-1-3-8-16;1-17(2,3)22-16(21)19-10-9-15-14(11-19)18-12-20(15)13-7-5-4-6-8-13;1-2-4-10(5-3-1)15-9-14-11-8-13-7-6-12(11)15/h1-8,11,13H,9-10,12H2,(H,22,25);4-8,12H,9-11H2,1-3H3;1-5,9,13H,6-8H2
InChIKeyOBZZPDMCYLJHCH-UHFFFAOYSA-N
MW851.46 g/mol
LogP8.80
Rot. Bonds4

About tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 159950215) has the molecular formula C48H51ClN10O3 and a molecular weight of 851.46 g/mol. Its IUPAC name is tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Nametert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID159950215
Molecular FormulaC48H51ClN10O3
Molecular Weight851.46 g/mol
Exact Mass850.38
IUPAC Nametert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)(C)OC(=O)N1CCc2c(ncn2-c2ccccc2)C1.O=C(Nc1cccc(Cl)c1)N1CCc2c(ncn2-c2ccccc2)C1.c1ccc(-n2cnc3c2CCNC3)cc1
InChIInChI=1S/C19H17ClN4O.C17H21N3O2.C12H13N3/c20-14-5-4-6-15(11-14)22-19(25)23-10-9-18-17(12-23)21-13-24(18)16-7-2-1-3-8-16;1-17(2,3)22-16(21)19-10-9-15-14(11-19)18-12-20(15)13-7-5-4-6-8-13;1-2-4-10(5-3-1)15-9-14-11-8-13-7-6-12(11)15/h1-8,11,13H,9-10,12H2,(H,22,25);4-8,12H,9-11H2,1-3H3;1-5,9,13H,6-8H2
InChIKeyOBZZPDMCYLJHCH-UHFFFAOYSA-N
XLogP8.80
TPSA127.37 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.46
LogP ≤ 58.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 159950215) is tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)(C)OC(=O)N1CCc2c(ncn2-c2ccccc2)C1.O=C(Nc1cccc(Cl)c1)N1CCc2c(ncn2-c2ccccc2)C1.c1ccc(-n2cnc3c2CCNC3)cc1.
What is the InChIKey of tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is OBZZPDMCYLJHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O.C17H21N3O2.C12H13N3/c20-14-5-4-6-15(11-14)22-19(25)23-10-9-18-17(12-23)21-13-24(18)16-7-2-1-3-8-16;1-17(2,3)22-16(21)19-10-9-15-14(11-19)18-12-20(15)13-7-5-4-6-8-13;1-2-4-10(5-3-1)15-9-14-11-8-13-7-6-12(11)15/h1-8,11,13H,9-10,12H2,(H,22,25);4-8,12H,9-11H2,1-3H3;1-5,9,13H,6-8H2.
What are the key properties of tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 851.46 g/mol, XLogP of 8.80, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-1-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide;1-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 159950215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).