(4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C16H15N3S — CID 95144370

IUPAC(4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESc1ccc(-c2ccc([C@@H]3NCCc4[nH]cnc43)s2)cc1
InChIInChI=1S/C16H15N3S/c1-2-4-11(5-3-1)13-6-7-14(20-13)16-15-12(8-9-17-16)18-10-19-15/h1-7,10,16-17H,8-9H2,(H,18,19)/t16-/m0/s1
InChIKeyHDEHKYIUVLKZCD-INIZCTEOSA-N
MW281.38 g/mol
LogP3.37
Rot. Bonds2

About (4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

(4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 95144370) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is (4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID95144370
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name(4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESc1ccc(-c2ccc([C@@H]3NCCc4[nH]cnc43)s2)cc1
InChIInChI=1S/C16H15N3S/c1-2-4-11(5-3-1)13-6-7-14(20-13)16-15-12(8-9-17-16)18-10-19-15/h1-7,10,16-17H,8-9H2,(H,18,19)/t16-/m0/s1
InChIKeyHDEHKYIUVLKZCD-INIZCTEOSA-N
XLogP3.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of (4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 95144370) is (4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is c1ccc(-c2ccc([C@@H]3NCCc4[nH]cnc43)s2)cc1.
What is the InChIKey of (4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is HDEHKYIUVLKZCD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-4-11(5-3-1)13-6-7-14(20-13)16-15-12(8-9-17-16)18-10-19-15/h1-7,10,16-17H,8-9H2,(H,18,19)/t16-/m0/s1.
What are the key properties of (4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
(4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 281.38 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 95144370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).