N-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride

C23H33ClN4O2 — CID 162311785

IUPACN-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride
SMILESCN(C(=O)n1cnc(-c2ccc(OCC3CCNCC3)cc2)c1)C1CCCCC1.Cl
InChIInChI=1S/C23H32N4O2.ClH/c1-26(20-5-3-2-4-6-20)23(28)27-15-22(25-17-27)19-7-9-21(10-8-19)29-16-18-11-13-24-14-12-18;/h7-10,15,17-18,20,24H,2-6,11-14,16H2,1H3;1H
InChIKeyHTIQAZHHBDIFGD-UHFFFAOYSA-N
MW433.00 g/mol
LogP4.58
Rot. Bonds5

About N-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride

N-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride (PubChem CID 162311785) has the molecular formula C23H33ClN4O2 and a molecular weight of 433.00 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride
PubChem CID162311785
Molecular FormulaC23H33ClN4O2
Molecular Weight433.00 g/mol
Exact Mass432.23
IUPAC NameN-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride
SMILESCN(C(=O)n1cnc(-c2ccc(OCC3CCNCC3)cc2)c1)C1CCCCC1.Cl
InChIInChI=1S/C23H32N4O2.ClH/c1-26(20-5-3-2-4-6-20)23(28)27-15-22(25-17-27)19-7-9-21(10-8-19)29-16-18-11-13-24-14-12-18;/h7-10,15,17-18,20,24H,2-6,11-14,16H2,1H3;1H
InChIKeyHTIQAZHHBDIFGD-UHFFFAOYSA-N
XLogP4.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.00
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-cyclopentyl-N-methyl-4-[3-(methylamino)phenyl]imidazole-1-carboxamide
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4-[4-(benzylamino)-3-nitrophenyl]-N-cyclohexyl-N-methylimidazole-1-carboxamide
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4-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide;N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(4-methylphenyl)imidazole-1-carboxamide;hydrobromide
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride?
The IUPAC name of N-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride (CID 162311785) is N-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride is CN(C(=O)n1cnc(-c2ccc(OCC3CCNCC3)cc2)c1)C1CCCCC1.Cl.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride?
The InChIKey is HTIQAZHHBDIFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2.ClH/c1-26(20-5-3-2-4-6-20)23(28)27-15-22(25-17-27)19-7-9-21(10-8-19)29-16-18-11-13-24-14-12-18;/h7-10,15,17-18,20,24H,2-6,11-14,16H2,1H3;1H.
What are the key properties of N-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride?
N-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride has a molecular weight of 433.00 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[4-(piperidin-4-ylmethoxy)phenyl]imidazole-1-carboxamide;hydrochloride is sourced from PubChem (CID 162311785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).