2-(4-tert-butylphenyl)-7-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine

C27H35N7 — CID 11583388

IUPAC2-(4-tert-butylphenyl)-7-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine
SMILESCCc1nc(CN2CCN(c3cncc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(C)[nH]1
InChIInChI=1S/C27H35N7/c1-6-24-29-18(2)22(30-24)17-33-11-13-34(14-12-33)23-16-28-15-21-25(23)32-26(31-21)19-7-9-20(10-8-19)27(3,4)5/h7-10,15-16H,6,11-14,17H2,1-5H3,(H,29,30)(H,31,32)
InChIKeyYUZYLRYHIULMSV-UHFFFAOYSA-N
MW457.63 g/mol
LogP4.84
Rot. Bonds5

About 2-(4-tert-butylphenyl)-7-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine

2-(4-tert-butylphenyl)-7-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine (PubChem CID 11583388) has the molecular formula C27H35N7 and a molecular weight of 457.63 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-7-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-7-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine
PubChem CID11583388
Molecular FormulaC27H35N7
Molecular Weight457.63 g/mol
Exact Mass457.30
IUPAC Name2-(4-tert-butylphenyl)-7-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine
SMILESCCc1nc(CN2CCN(c3cncc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(C)[nH]1
InChIInChI=1S/C27H35N7/c1-6-24-29-18(2)22(30-24)17-33-11-13-34(14-12-33)23-16-28-15-21-25(23)32-26(31-21)19-7-9-20(10-8-19)27(3,4)5/h7-10,15-16H,6,11-14,17H2,1-5H3,(H,29,30)(H,31,32)
InChIKeyYUZYLRYHIULMSV-UHFFFAOYSA-N
XLogP4.84
TPSA76.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.63
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-7-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-7-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine (CID 11583388) is 2-(4-tert-butylphenyl)-7-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-7-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-7-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine is CCc1nc(CN2CCN(c3cncc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(C)[nH]1.
What is the InChIKey of 2-(4-tert-butylphenyl)-7-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine?
The InChIKey is YUZYLRYHIULMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7/c1-6-24-29-18(2)22(30-24)17-33-11-13-34(14-12-33)23-16-28-15-21-25(23)32-26(31-21)19-7-9-20(10-8-19)27(3,4)5/h7-10,15-16H,6,11-14,17H2,1-5H3,(H,29,30)(H,31,32).
What are the key properties of 2-(4-tert-butylphenyl)-7-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine?
2-(4-tert-butylphenyl)-7-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 457.63 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-7-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 11583388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).