N-cyclopropyl-2-(difluoromethoxy)-6-methyl-4-[2-[(1Z,3Z)-2-(1-methylpiperidin-4-yl)penta-1,3-dienyl]-1H-imidazol-5-yl]benzamide

C26H32F2N4O2 — CID 174364502

IUPACN-cyclopropyl-2-(difluoromethoxy)-6-methyl-4-[2-[(1Z,3Z)-2-(1-methylpiperidin-4-yl)penta-1,3-dienyl]-1H-imidazol-5-yl]benzamide
SMILESC/C=C\C(=C/c1ncc(-c2cc(C)c(C(=O)NC3CC3)c(OC(F)F)c2)[nH]1)C1CCN(C)CC1
InChIInChI=1S/C26H32F2N4O2/c1-4-5-18(17-8-10-32(3)11-9-17)14-23-29-15-21(31-23)19-12-16(2)24(22(13-19)34-26(27)28)25(33)30-20-6-7-20/h4-5,12-15,17,20,26H,6-11H2,1-3H3,(H,29,31)(H,30,33)/b5-4-,18-14+
InChIKeyLUIMCUCPAAAASM-LBMGPBCLSA-N
MW470.56 g/mol
LogP5.18
Rot. Bonds8

About N-cyclopropyl-2-(difluoromethoxy)-6-methyl-4-[2-[(1Z,3Z)-2-(1-methylpiperidin-4-yl)penta-1,3-dienyl]-1H-imidazol-5-yl]benzamide

N-cyclopropyl-2-(difluoromethoxy)-6-methyl-4-[2-[(1Z,3Z)-2-(1-methylpiperidin-4-yl)penta-1,3-dienyl]-1H-imidazol-5-yl]benzamide (PubChem CID 174364502) has the molecular formula C26H32F2N4O2 and a molecular weight of 470.56 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methyl-4-[2-[(1Z,3Z)-2-(1-methylpiperidin-4-yl)penta-1,3-dienyl]-1H-imidazol-5-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-6-methyl-4-[2-[(1Z,3Z)-2-(1-methylpiperidin-4-yl)penta-1,3-dienyl]-1H-imidazol-5-yl]benzamide
PubChem CID174364502
Molecular FormulaC26H32F2N4O2
Molecular Weight470.56 g/mol
Exact Mass470.25
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-6-methyl-4-[2-[(1Z,3Z)-2-(1-methylpiperidin-4-yl)penta-1,3-dienyl]-1H-imidazol-5-yl]benzamide
SMILESC/C=C\C(=C/c1ncc(-c2cc(C)c(C(=O)NC3CC3)c(OC(F)F)c2)[nH]1)C1CCN(C)CC1
InChIInChI=1S/C26H32F2N4O2/c1-4-5-18(17-8-10-32(3)11-9-17)14-23-29-15-21(31-23)19-12-16(2)24(22(13-19)34-26(27)28)25(33)30-20-6-7-20/h4-5,12-15,17,20,26H,6-11H2,1-3H3,(H,29,31)(H,30,33)/b5-4-,18-14+
InChIKeyLUIMCUCPAAAASM-LBMGPBCLSA-N
XLogP5.18
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.56
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methyl-4-[2-[(1Z,3Z)-2-(1-methylpiperidin-4-yl)penta-1,3-dienyl]-1H-imidazol-5-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methyl-4-[2-[(1Z,3Z)-2-(1-methylpiperidin-4-yl)penta-1,3-dienyl]-1H-imidazol-5-yl]benzamide (CID 174364502) is N-cyclopropyl-2-(difluoromethoxy)-6-methyl-4-[2-[(1Z,3Z)-2-(1-methylpiperidin-4-yl)penta-1,3-dienyl]-1H-imidazol-5-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-methyl-4-[2-[(1Z,3Z)-2-(1-methylpiperidin-4-yl)penta-1,3-dienyl]-1H-imidazol-5-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methyl-4-[2-[(1Z,3Z)-2-(1-methylpiperidin-4-yl)penta-1,3-dienyl]-1H-imidazol-5-yl]benzamide is C/C=C\C(=C/c1ncc(-c2cc(C)c(C(=O)NC3CC3)c(OC(F)F)c2)[nH]1)C1CCN(C)CC1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-methyl-4-[2-[(1Z,3Z)-2-(1-methylpiperidin-4-yl)penta-1,3-dienyl]-1H-imidazol-5-yl]benzamide?
The InChIKey is LUIMCUCPAAAASM-LBMGPBCLSA-N. The full InChI is InChI=1S/C26H32F2N4O2/c1-4-5-18(17-8-10-32(3)11-9-17)14-23-29-15-21(31-23)19-12-16(2)24(22(13-19)34-26(27)28)25(33)30-20-6-7-20/h4-5,12-15,17,20,26H,6-11H2,1-3H3,(H,29,31)(H,30,33)/b5-4-,18-14+.
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-methyl-4-[2-[(1Z,3Z)-2-(1-methylpiperidin-4-yl)penta-1,3-dienyl]-1H-imidazol-5-yl]benzamide?
N-cyclopropyl-2-(difluoromethoxy)-6-methyl-4-[2-[(1Z,3Z)-2-(1-methylpiperidin-4-yl)penta-1,3-dienyl]-1H-imidazol-5-yl]benzamide has a molecular weight of 470.56 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(difluoromethoxy)-6-methyl-4-[2-[(1Z,3Z)-2-(1-methylpiperidin-4-yl)penta-1,3-dienyl]-1H-imidazol-5-yl]benzamide is sourced from PubChem (CID 174364502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).