1-[4-(benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea

C21H18N4O3S — CID 66611076

IUPAC1-[4-(benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea
SMILESO=C(NCc1ccc2nccn2c1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18N4O3S/c26-21(23-14-16-6-11-20-22-12-13-25(20)15-16)24-17-7-9-19(10-8-17)29(27,28)18-4-2-1-3-5-18/h1-13,15H,14H2,(H2,23,24,26)
InChIKeyXOQIENHRMZEKQO-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.49
Rot. Bonds5

About 1-[4-(benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea

1-[4-(benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea (PubChem CID 66611076) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea
PubChem CID66611076
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name1-[4-(benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea
SMILESO=C(NCc1ccc2nccn2c1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18N4O3S/c26-21(23-14-16-6-11-20-22-12-13-25(20)15-16)24-17-7-9-19(10-8-17)29(27,28)18-4-2-1-3-5-18/h1-13,15H,14H2,(H2,23,24,26)
InChIKeyXOQIENHRMZEKQO-UHFFFAOYSA-N
XLogP3.49
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea?
The IUPAC name of 1-[4-(benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea (CID 66611076) is 1-[4-(benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea.
What is the SMILES notation for 1-[4-(benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea?
The canonical SMILES for 1-[4-(benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea is O=C(NCc1ccc2nccn2c1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea?
The InChIKey is XOQIENHRMZEKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c26-21(23-14-16-6-11-20-22-12-13-25(20)15-16)24-17-7-9-19(10-8-17)29(27,28)18-4-2-1-3-5-18/h1-13,15H,14H2,(H2,23,24,26).
What are the key properties of 1-[4-(benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea?
1-[4-(benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea has a molecular weight of 406.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea is sourced from PubChem (CID 66611076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).