1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea

C18H15ClN4OS — CID 71908261

IUPAC1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea
SMILESCc1nc(CNC(=O)Nc2sc3ccccc3c2Cl)c2ccccn12
InChIInChI=1S/C18H15ClN4OS/c1-11-21-13(14-7-4-5-9-23(11)14)10-20-18(24)22-17-16(19)12-6-2-3-8-15(12)25-17/h2-9H,10H2,1H3,(H2,20,22,24)
InChIKeyBJYZGUCOGMCCNO-UHFFFAOYSA-N
MW370.87 g/mol
LogP4.83
Rot. Bonds3

About 1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea

1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea (PubChem CID 71908261) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is 1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea
PubChem CID71908261
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC Name1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea
SMILESCc1nc(CNC(=O)Nc2sc3ccccc3c2Cl)c2ccccn12
InChIInChI=1S/C18H15ClN4OS/c1-11-21-13(14-7-4-5-9-23(11)14)10-20-18(24)22-17-16(19)12-6-2-3-8-15(12)25-17/h2-9H,10H2,1H3,(H2,20,22,24)
InChIKeyBJYZGUCOGMCCNO-UHFFFAOYSA-N
XLogP4.83
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea?
The IUPAC name of 1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea (CID 71908261) is 1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea.
What is the SMILES notation for 1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea?
The canonical SMILES for 1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea is Cc1nc(CNC(=O)Nc2sc3ccccc3c2Cl)c2ccccn12.
What is the InChIKey of 1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea?
The InChIKey is BJYZGUCOGMCCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c1-11-21-13(14-7-4-5-9-23(11)14)10-20-18(24)22-17-16(19)12-6-2-3-8-15(12)25-17/h2-9H,10H2,1H3,(H2,20,22,24).
What are the key properties of 1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea?
1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea has a molecular weight of 370.87 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1-benzothiophen-2-yl)-3-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]urea is sourced from PubChem (CID 71908261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).