benzyl N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]cyclohexyl]carbamate

C30H30N4O4 — CID 11627625

About benzyl N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]cyclohexyl]carbamate

benzyl N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]cyclohexyl]carbamate (PubChem CID 11627625) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is benzyl N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]cyclohexyl]carbamate
• PubChem CID: 11627625
• Molecular Formula: C30H30N4O4
• Molecular Weight: 510.59 g/mol
• Exact Mass: 510.23
• IUPAC Name: benzyl N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]cyclohexyl]carbamate
• SMILES: Cc1cccc(-c2[nH]c(C3CCC(NC(=O)OCc4ccccc4)CC3)nc2-c2ccc3c(c2)OCO3)n1
• InChI: InChI=1S/C30H30N4O4/c1-19-6-5-9-24(31-19)28-27(22-12-15-25-26(16-22)38-18-37-25)33-29(34-28)21-10-13-23(14-11-21)32-30(35)36-17-20-7-3-2-4-8-20/h2-9,12,15-16,21,23H,10-11,13-14,17-18H2,1H3,(H,32,35)(H,33,34)
• InChIKey: HKDZSCRAUDDTJO-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 98.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.59
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]cyclohexyl]carbamate?

The IUPAC name of benzyl N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]cyclohexyl]carbamate (CID 11627625) is benzyl N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]cyclohexyl]carbamate.

What is the SMILES notation for benzyl N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]cyclohexyl]carbamate?

The canonical SMILES for benzyl N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]cyclohexyl]carbamate is Cc1cccc(-c2[nH]c(C3CCC(NC(=O)OCc4ccccc4)CC3)nc2-c2ccc3c(c2)OCO3)n1.

What is the InChIKey of benzyl N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]cyclohexyl]carbamate?

The InChIKey is HKDZSCRAUDDTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c1-19-6-5-9-24(31-19)28-27(22-12-15-25-26(16-22)38-18-37-25)33-29(34-28)21-10-13-23(14-11-21)32-30(35)36-17-20-7-3-2-4-8-20/h2-9,12,15-16,21,23H,10-11,13-14,17-18H2,1H3,(H,32,35)(H,33,34).

What are the key properties of benzyl N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]cyclohexyl]carbamate?

benzyl N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]cyclohexyl]carbamate has a molecular weight of 510.59 g/mol, XLogP of 6.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 11627625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).