N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide

C17H21N3O — CID 110735497

IUPACN-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
SMILESCc1ncc(-c2ccc(NC(=O)C3CCCCC3)cc2)[nH]1
InChIInChI=1S/C17H21N3O/c1-12-18-11-16(19-12)13-7-9-15(10-8-13)20-17(21)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,18,19)(H,20,21)
InChIKeyRFSCZNSPZQJBBE-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.90
Rot. Bonds3

About N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide

N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide (PubChem CID 110735497) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
PubChem CID110735497
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
SMILESCc1ncc(-c2ccc(NC(=O)C3CCCCC3)cc2)[nH]1
InChIInChI=1S/C17H21N3O/c1-12-18-11-16(19-12)13-7-9-15(10-8-13)20-17(21)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,18,19)(H,20,21)
InChIKeyRFSCZNSPZQJBBE-UHFFFAOYSA-N
XLogP3.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide
CID 71131022
N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
CID 110471674
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
1-tert-butyl-3-[4-(2-methyl-1H-imidazol-5-yl)phenyl]urea
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CID 53014777
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
CID 112985012
N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
CID 106909905
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]cyclopentanecarboxamide
CID 70518956
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide (CID 110735497) is N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide is Cc1ncc(-c2ccc(NC(=O)C3CCCCC3)cc2)[nH]1.
What is the InChIKey of N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is RFSCZNSPZQJBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-18-11-16(19-12)13-7-9-15(10-8-13)20-17(21)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide?
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 110735497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).