4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one

C22H17N5O — CID 10338957

IUPAC4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCc1nc2cnccc2n1-c1ccc(C2=Nc3ccccc3NC(=O)C2)cc1
InChIInChI=1S/C22H17N5O/c1-14-24-20-13-23-11-10-21(20)27(14)16-8-6-15(7-9-16)19-12-22(28)26-18-5-3-2-4-17(18)25-19/h2-11,13H,12H2,1H3,(H,26,28)
InChIKeyMSSPSUQHGLSDOS-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.19
Rot. Bonds2

About 4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one

4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 10338957) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID10338957
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCc1nc2cnccc2n1-c1ccc(C2=Nc3ccccc3NC(=O)C2)cc1
InChIInChI=1S/C22H17N5O/c1-14-24-20-13-23-11-10-21(20)27(14)16-8-6-15(7-9-16)19-12-22(28)26-18-5-3-2-4-17(18)25-19/h2-11,13H,12H2,1H3,(H,26,28)
InChIKeyMSSPSUQHGLSDOS-UHFFFAOYSA-N
XLogP4.19
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one (CID 10338957) is 4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one is Cc1nc2cnccc2n1-c1ccc(C2=Nc3ccccc3NC(=O)C2)cc1.
What is the InChIKey of 4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is MSSPSUQHGLSDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-14-24-20-13-23-11-10-21(20)27(14)16-8-6-15(7-9-16)19-12-22(28)26-18-5-3-2-4-17(18)25-19/h2-11,13H,12H2,1H3,(H,26,28).
What are the key properties of 4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one?
4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 367.41 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 10338957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).