2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide

C16H20N4O — CID 64825093

IUPAC2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C16H20N4O/c17-15-7-2-1-6-14(15)16(21)19-12-4-3-5-13(10-12)20-9-8-18-11-20/h3-5,8-11,14-15H,1-2,6-7,17H2,(H,19,21)
InChIKeyASYFOAFQBVVENU-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.33
Rot. Bonds3

About 2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide

2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide (PubChem CID 64825093) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide
PubChem CID64825093
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C16H20N4O/c17-15-7-2-1-6-14(15)16(21)19-12-4-3-5-13(10-12)20-9-8-18-11-20/h3-5,8-11,14-15H,1-2,6-7,17H2,(H,19,21)
InChIKeyASYFOAFQBVVENU-UHFFFAOYSA-N
XLogP2.33
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374
2-amino-N-(6-imidazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 64822564
2-amino-N-[3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685776
2-amino-2-cyclopropyl-N-(3-imidazol-1-ylphenyl)propanamide
CID 60868425
2-amino-N-pyridin-3-ylcyclopentane-1-carboxamide
CID 64817349
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 64822966
2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide
CID 115377162
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692820
3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 60866705
3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide
CID 51095447
2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide
CID 43701216

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide (CID 64825093) is 2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide is NC1CCCCC1C(=O)Nc1cccc(-n2ccnc2)c1.
What is the InChIKey of 2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide?
The InChIKey is ASYFOAFQBVVENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-15-7-2-1-6-14(15)16(21)19-12-4-3-5-13(10-12)20-9-8-18-11-20/h3-5,8-11,14-15H,1-2,6-7,17H2,(H,19,21).
What are the key properties of 2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide?
2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-imidazol-1-ylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64825093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).