5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C42H38Cl4N6O — CID 163810638

IUPAC5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESClc1ccc2c(c1)CC(N1CCc3nc(-c4ccccc4Cl)[nH]c3C1)C2.Clc1ccccc1-c1nc2c([nH]1)CNCC2.O=C1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C21H19Cl2N3.C12H12ClN3.C9H7ClO/c22-15-6-5-13-10-16(11-14(13)9-15)26-8-7-19-20(12-26)25-21(24-19)17-3-1-2-4-18(17)23;13-9-4-2-1-3-8(9)12-15-10-5-6-14-7-11(10)16-12;10-8-2-1-6-4-9(11)5-7(6)3-8/h1-6,9,16H,7-8,10-12H2,(H,24,25);1-4,14H,5-7H2,(H,15,16);1-3H,4-5H2
InChIKeyNMXRBRYMTYDIAJ-UHFFFAOYSA-N
MW784.62 g/mol
LogP9.29
Rot. Bonds3

About 5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 163810638) has the molecular formula C42H38Cl4N6O and a molecular weight of 784.62 g/mol. Its IUPAC name is 5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID163810638
Molecular FormulaC42H38Cl4N6O
Molecular Weight784.62 g/mol
Exact Mass782.19
IUPAC Name5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESClc1ccc2c(c1)CC(N1CCc3nc(-c4ccccc4Cl)[nH]c3C1)C2.Clc1ccccc1-c1nc2c([nH]1)CNCC2.O=C1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C21H19Cl2N3.C12H12ClN3.C9H7ClO/c22-15-6-5-13-10-16(11-14(13)9-15)26-8-7-19-20(12-26)25-21(24-19)17-3-1-2-4-18(17)23;13-9-4-2-1-3-8(9)12-15-10-5-6-14-7-11(10)16-12;10-8-2-1-6-4-9(11)5-7(6)3-8/h1-6,9,16H,7-8,10-12H2,(H,24,25);1-4,14H,5-7H2,(H,15,16);1-3H,4-5H2
InChIKeyNMXRBRYMTYDIAJ-UHFFFAOYSA-N
XLogP9.29
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.62
LogP ≤ 59.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 163810638) is 5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is Clc1ccc2c(c1)CC(N1CCc3nc(-c4ccccc4Cl)[nH]c3C1)C2.Clc1ccccc1-c1nc2c([nH]1)CNCC2.O=C1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is NMXRBRYMTYDIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3.C12H12ClN3.C9H7ClO/c22-15-6-5-13-10-16(11-14(13)9-15)26-8-7-19-20(12-26)25-21(24-19)17-3-1-2-4-18(17)23;13-9-4-2-1-3-8(9)12-15-10-5-6-14-7-11(10)16-12;10-8-2-1-6-4-9(11)5-7(6)3-8/h1-6,9,16H,7-8,10-12H2,(H,24,25);1-4,14H,5-7H2,(H,15,16);1-3H,4-5H2.
What are the key properties of 5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 784.62 g/mol, XLogP of 9.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 163810638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).