4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide

C16H20N4O — CID 60849609

IUPAC4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)CC1
InChIInChI=1S/C16H20N4O/c17-13-5-1-12(2-6-13)16(21)20-14-7-3-11(4-8-14)15-9-18-10-19-15/h3-4,7-10,12-13H,1-2,5-6,17H2,(H,18,19)(H,20,21)
InChIKeySAAYIMGEBMNXNQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.53
Rot. Bonds3

About 4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide

4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 60849609) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID60849609
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)CC1
InChIInChI=1S/C16H20N4O/c17-13-5-1-12(2-6-13)16(21)20-14-7-3-11(4-8-14)15-9-18-10-19-15/h3-4,7-10,12-13H,1-2,5-6,17H2,(H,18,19)(H,20,21)
InChIKeySAAYIMGEBMNXNQ-UHFFFAOYSA-N
XLogP2.53
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
CID 110471674
N-[4-(1H-imidazol-5-yl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136577610
N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide
CID 110668538
trans-(1S,3S)-3-[[4-(1H-imidazol-5-yl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391482
2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 62733559
4-amino-N-[4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-carboxamide
CID 167830419
N-cyclopropyl-4-(1H-imidazol-5-yl)aniline
CID 103439039
2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 79809348
4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 60848648
4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 60847909
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
N-[4-(1H-imidazol-5-yl)phenyl]but-2-enamide
CID 78997234

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide (CID 60849609) is 4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)CC1.
What is the InChIKey of 4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is SAAYIMGEBMNXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-13-5-1-12(2-6-13)16(21)20-14-7-3-11(4-8-14)15-9-18-10-19-15/h3-4,7-10,12-13H,1-2,5-6,17H2,(H,18,19)(H,20,21).
What are the key properties of 4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide?
4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 60849609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).