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

C23H19N5O — CID 10452437

IUPAC1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-2-one
SMILESCc1nc2cnccc2n1-c1ccc(C2=Nc3ccccc3N(C)C(=O)C2)cc1
InChIInChI=1S/C23H19N5O/c1-15-25-20-14-24-12-11-22(20)28(15)17-9-7-16(8-10-17)19-13-23(29)27(2)21-6-4-3-5-18(21)26-19/h3-12,14H,13H2,1-2H3
InChIKeyFWMSCMAWBURVDX-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.22
Rot. Bonds2

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

1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-2-one (PubChem CID 10452437) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-2-one
PubChem CID10452437
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-2-one
SMILESCc1nc2cnccc2n1-c1ccc(C2=Nc3ccccc3N(C)C(=O)C2)cc1
InChIInChI=1S/C23H19N5O/c1-15-25-20-14-24-12-11-22(20)28(15)17-9-7-16(8-10-17)19-13-23(29)27(2)21-6-4-3-5-18(21)26-19/h3-12,14H,13H2,1-2H3
InChIKeyFWMSCMAWBURVDX-UHFFFAOYSA-N
XLogP4.22
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-2-one?
The IUPAC name of 1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-2-one (CID 10452437) is 1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-2-one?
The canonical SMILES for 1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-2-one is Cc1nc2cnccc2n1-c1ccc(C2=Nc3ccccc3N(C)C(=O)C2)cc1.
What is the InChIKey of 1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-2-one?
The InChIKey is FWMSCMAWBURVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-15-25-20-14-24-12-11-22(20)28(15)17-9-7-16(8-10-17)19-13-23(29)27(2)21-6-4-3-5-18(21)26-19/h3-12,14H,13H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-2-one?
1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-2-one has a molecular weight of 381.44 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 10452437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).