7,8-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-4-amine

C24H22N6 — CID 10340604

IUPAC7,8-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-4-amine
SMILESCc1cc2c(cc1C)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(N)=N2
InChIInChI=1S/C24H22N6/c1-14-10-20-21(11-15(14)2)29-24(25)12-19(28-20)17-4-6-18(7-5-17)30-16(3)27-22-13-26-9-8-23(22)30/h4-11,13H,12H2,1-3H3,(H2,25,29)
InChIKeyDHBAGEFUGIDMEJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.86
Rot. Bonds2

About 7,8-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-4-amine

7,8-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-4-amine (PubChem CID 10340604) has the molecular formula C24H22N6 and a molecular weight of 394.48 g/mol. Its IUPAC name is 7,8-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-4-amine.

Molecular Properties

Compound Name7,8-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-4-amine
PubChem CID10340604
Molecular FormulaC24H22N6
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC Name7,8-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-4-amine
SMILESCc1cc2c(cc1C)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(N)=N2
InChIInChI=1S/C24H22N6/c1-14-10-20-21(11-15(14)2)29-24(25)12-19(28-20)17-4-6-18(7-5-17)30-16(3)27-22-13-26-9-8-23(22)30/h4-11,13H,12H2,1-3H3,(H2,25,29)
InChIKeyDHBAGEFUGIDMEJ-UHFFFAOYSA-N
XLogP4.86
TPSA81.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-4-amine?
The IUPAC name of 7,8-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-4-amine (CID 10340604) is 7,8-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-4-amine.
What is the SMILES notation for 7,8-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-4-amine?
The canonical SMILES for 7,8-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-4-amine is Cc1cc2c(cc1C)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(N)=N2.
What is the InChIKey of 7,8-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-4-amine?
The InChIKey is DHBAGEFUGIDMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6/c1-14-10-20-21(11-15(14)2)29-24(25)12-19(28-20)17-4-6-18(7-5-17)30-16(3)27-22-13-26-9-8-23(22)30/h4-11,13H,12H2,1-3H3,(H2,25,29).
What are the key properties of 7,8-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-4-amine?
7,8-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-4-amine has a molecular weight of 394.48 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-4-amine is sourced from PubChem (CID 10340604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).