7-chloro-3-[(2-chlorophenyl)methyl]-9-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one

C25H20Cl2N4O2 — CID 90045805

IUPAC7-chloro-3-[(2-chlorophenyl)methyl]-9-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1cc(Cl)cc2c1NC(=O)C(Cc1ccccc1Cl)N=C2c1ccc2[nH]c(=O)n(C)c2c1
InChIInChI=1S/C25H20Cl2N4O2/c1-13-9-16(26)12-17-22(13)30-24(32)20(10-14-5-3-4-6-18(14)27)28-23(17)15-7-8-19-21(11-15)31(2)25(33)29-19/h3-9,11-12,20H,10H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyVHXNCYWFOHZUBC-UHFFFAOYSA-N
MW479.37 g/mol
LogP4.88
Rot. Bonds3

About 7-chloro-3-[(2-chlorophenyl)methyl]-9-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one

7-chloro-3-[(2-chlorophenyl)methyl]-9-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 90045805) has the molecular formula C25H20Cl2N4O2 and a molecular weight of 479.37 g/mol. Its IUPAC name is 7-chloro-3-[(2-chlorophenyl)methyl]-9-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-3-[(2-chlorophenyl)methyl]-9-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID90045805
Molecular FormulaC25H20Cl2N4O2
Molecular Weight479.37 g/mol
Exact Mass478.10
IUPAC Name7-chloro-3-[(2-chlorophenyl)methyl]-9-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1cc(Cl)cc2c1NC(=O)C(Cc1ccccc1Cl)N=C2c1ccc2[nH]c(=O)n(C)c2c1
InChIInChI=1S/C25H20Cl2N4O2/c1-13-9-16(26)12-17-22(13)30-24(32)20(10-14-5-3-4-6-18(14)27)28-23(17)15-7-8-19-21(11-15)31(2)25(33)29-19/h3-9,11-12,20H,10H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyVHXNCYWFOHZUBC-UHFFFAOYSA-N
XLogP4.88
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.37
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(2-chlorophenyl)methyl]-9-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-3-[(2-chlorophenyl)methyl]-9-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 90045805) is 7-chloro-3-[(2-chlorophenyl)methyl]-9-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-3-[(2-chlorophenyl)methyl]-9-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-3-[(2-chlorophenyl)methyl]-9-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one is Cc1cc(Cl)cc2c1NC(=O)C(Cc1ccccc1Cl)N=C2c1ccc2[nH]c(=O)n(C)c2c1.
What is the InChIKey of 7-chloro-3-[(2-chlorophenyl)methyl]-9-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is VHXNCYWFOHZUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N4O2/c1-13-9-16(26)12-17-22(13)30-24(32)20(10-14-5-3-4-6-18(14)27)28-23(17)15-7-8-19-21(11-15)31(2)25(33)29-19/h3-9,11-12,20H,10H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of 7-chloro-3-[(2-chlorophenyl)methyl]-9-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one?
7-chloro-3-[(2-chlorophenyl)methyl]-9-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 479.37 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(2-chlorophenyl)methyl]-9-methyl-5-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 90045805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).