4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C12H12ClN3 — CID 3749162

IUPAC4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESClc1cccc(C2NCCc3[nH]cnc32)c1
InChIInChI=1S/C12H12ClN3/c13-9-3-1-2-8(6-9)11-12-10(4-5-14-11)15-7-16-12/h1-3,6-7,11,14H,4-5H2,(H,15,16)
InChIKeySCWUUGGZFNAMCV-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.30
Rot. Bonds1

About 4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 3749162) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID3749162
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESClc1cccc(C2NCCc3[nH]cnc32)c1
InChIInChI=1S/C12H12ClN3/c13-9-3-1-2-8(6-9)11-12-10(4-5-14-11)15-7-16-12/h1-3,6-7,11,14H,4-5H2,(H,15,16)
InChIKeySCWUUGGZFNAMCV-UHFFFAOYSA-N
XLogP2.30
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 3749162) is 4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is Clc1cccc(C2NCCc3[nH]cnc32)c1.
What is the InChIKey of 4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is SCWUUGGZFNAMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-9-3-1-2-8(6-9)11-12-10(4-5-14-11)15-7-16-12/h1-3,6-7,11,14H,4-5H2,(H,15,16).
What are the key properties of 4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 233.70 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 3749162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).