2-[(3-chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine

C26H25ClN4 — CID 24745333

IUPAC2-[(3-chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine
SMILESClc1cccc(C(c2ccc(CN3CCCC3)cc2)(c2ccccn2)n2ccnc2)c1
InChIInChI=1S/C26H25ClN4/c27-24-7-5-6-23(18-24)26(31-17-14-28-20-31,25-8-1-2-13-29-25)22-11-9-21(10-12-22)19-30-15-3-4-16-30/h1-2,5-14,17-18,20H,3-4,15-16,19H2
InChIKeyWLCDUINKZRNEMK-UHFFFAOYSA-N
MW428.97 g/mol
LogP5.37
Rot. Bonds6

About 2-[(3-chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine

2-[(3-chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine (PubChem CID 24745333) has the molecular formula C26H25ClN4 and a molecular weight of 428.97 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine
PubChem CID24745333
Molecular FormulaC26H25ClN4
Molecular Weight428.97 g/mol
Exact Mass428.18
IUPAC Name2-[(3-chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine
SMILESClc1cccc(C(c2ccc(CN3CCCC3)cc2)(c2ccccn2)n2ccnc2)c1
InChIInChI=1S/C26H25ClN4/c27-24-7-5-6-23(18-24)26(31-17-14-28-20-31,25-8-1-2-13-29-25)22-11-9-21(10-12-22)19-30-15-3-4-16-30/h1-2,5-14,17-18,20H,3-4,15-16,19H2
InChIKeyWLCDUINKZRNEMK-UHFFFAOYSA-N
XLogP5.37
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.97
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine?
The IUPAC name of 2-[(3-chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine (CID 24745333) is 2-[(3-chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 2-[(3-chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine?
The canonical SMILES for 2-[(3-chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine is Clc1cccc(C(c2ccc(CN3CCCC3)cc2)(c2ccccn2)n2ccnc2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine?
The InChIKey is WLCDUINKZRNEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4/c27-24-7-5-6-23(18-24)26(31-17-14-28-20-31,25-8-1-2-13-29-25)22-11-9-21(10-12-22)19-30-15-3-4-16-30/h1-2,5-14,17-18,20H,3-4,15-16,19H2.
What are the key properties of 2-[(3-chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine?
2-[(3-chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine has a molecular weight of 428.97 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)-imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 24745333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).