1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea

C24H33N5O — CID 158582434

IUPAC1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea
SMILESCCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NCCC(C)C)cc1
InChIInChI=1S/C24H33N5O/c1-6-22-28-23-18(5)27-17(4)15-21(23)29(22)20-9-7-19(8-10-20)12-14-26-24(30)25-13-11-16(2)3/h7-10,15-16H,6,11-14H2,1-5H3,(H2,25,26,30)
InChIKeyXZYMITKJFUWCPF-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.49
Rot. Bonds8

About 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea

1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea (PubChem CID 158582434) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea
PubChem CID158582434
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea
SMILESCCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NCCC(C)C)cc1
InChIInChI=1S/C24H33N5O/c1-6-22-28-23-18(5)27-17(4)15-21(23)29(22)20-9-7-19(8-10-20)12-14-26-24(30)25-13-11-16(2)3/h7-10,15-16H,6,11-14H2,1-5H3,(H2,25,26,30)
InChIKeyXZYMITKJFUWCPF-UHFFFAOYSA-N
XLogP4.49
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea?
The IUPAC name of 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea (CID 158582434) is 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea?
The canonical SMILES for 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea is CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NCCC(C)C)cc1.
What is the InChIKey of 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea?
The InChIKey is XZYMITKJFUWCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-6-22-28-23-18(5)27-17(4)15-21(23)29(22)20-9-7-19(8-10-20)12-14-26-24(30)25-13-11-16(2)3/h7-10,15-16H,6,11-14H2,1-5H3,(H2,25,26,30).
What are the key properties of 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea?
1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea has a molecular weight of 407.56 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(3-methylbutyl)urea is sourced from PubChem (CID 158582434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).