N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide

C20H28N4O — CID 110429513

IUPACN-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
SMILESCN(C)c1ccc(C(NC(=O)C2CCCCC2)c2nccn2C)cc1
InChIInChI=1S/C20H28N4O/c1-23(2)17-11-9-15(10-12-17)18(19-21-13-14-24(19)3)22-20(25)16-7-5-4-6-8-16/h9-14,16,18H,4-8H2,1-3H3,(H,22,25)
InChIKeyQBGVNVNJDJSCQU-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.27
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide

N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide (PubChem CID 110429513) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
PubChem CID110429513
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
SMILESCN(C)c1ccc(C(NC(=O)C2CCCCC2)c2nccn2C)cc1
InChIInChI=1S/C20H28N4O/c1-23(2)17-11-9-15(10-12-17)18(19-21-13-14-24(19)3)22-20(25)16-7-5-4-6-8-16/h9-14,16,18H,4-8H2,1-3H3,(H,22,25)
InChIKeyQBGVNVNJDJSCQU-UHFFFAOYSA-N
XLogP3.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 25406313
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 25341765
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110429518
2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide
CID 110429514
4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide
CID 110429568
(1S)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohex-3-ene-1-carboxamide
CID 25341556
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 51269183
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea
CID 110429557
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110429479
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide (CID 110429513) is N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide is CN(C)c1ccc(C(NC(=O)C2CCCCC2)c2nccn2C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide?
The InChIKey is QBGVNVNJDJSCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-23(2)17-11-9-15(10-12-17)18(19-21-13-14-24(19)3)22-20(25)16-7-5-4-6-8-16/h9-14,16,18H,4-8H2,1-3H3,(H,22,25).
What are the key properties of N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide?
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 110429513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).