2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide

C27H35N5O2 — CID 90370338

IUPAC2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc(-c3ccc(CCN4CCCCC4)cc3)cn2CC(=O)NC(C)C)n1
InChIInChI=1S/C27H35N5O2/c1-20(2)28-25(33)19-32-18-24(30-27(32)23-8-7-9-26(29-23)34-3)22-12-10-21(11-13-22)14-17-31-15-5-4-6-16-31/h7-13,18,20H,4-6,14-17,19H2,1-3H3,(H,28,33)
InChIKeyYOUJLTJHVJFZEE-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.17
Rot. Bonds9

About 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide

2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 90370338) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID90370338
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC Name2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc(-c3ccc(CCN4CCCCC4)cc3)cn2CC(=O)NC(C)C)n1
InChIInChI=1S/C27H35N5O2/c1-20(2)28-25(33)19-32-18-24(30-27(32)23-8-7-9-26(29-23)34-3)22-12-10-21(11-13-22)14-17-31-15-5-4-6-16-31/h7-13,18,20H,4-6,14-17,19H2,1-3H3,(H,28,33)
InChIKeyYOUJLTJHVJFZEE-UHFFFAOYSA-N
XLogP4.17
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide (CID 90370338) is 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide is COc1cccc(-c2nc(-c3ccc(CCN4CCCCC4)cc3)cn2CC(=O)NC(C)C)n1.
What is the InChIKey of 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is YOUJLTJHVJFZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-20(2)28-25(33)19-32-18-24(30-27(32)23-8-7-9-26(29-23)34-3)22-12-10-21(11-13-22)14-17-31-15-5-4-6-16-31/h7-13,18,20H,4-6,14-17,19H2,1-3H3,(H,28,33).
What are the key properties of 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 461.61 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methoxy-2-pyridinyl)-4-[4-(2-piperidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 90370338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).