N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide

C19H26N4O — CID 102563631

IUPACN-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide
SMILESCC(NC1CCCCC1C)C(=O)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C19H26N4O/c1-13-5-3-4-6-17(13)22-14(2)19(24)23-16-9-7-15(8-10-16)18-11-20-12-21-18/h7-14,17,22H,3-6H2,1-2H3,(H,20,21)(H,23,24)
InChIKeyGVTNLEHKSHDTKK-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.57
Rot. Bonds5

About N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide

N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide (PubChem CID 102563631) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide
PubChem CID102563631
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide
SMILESCC(NC1CCCCC1C)C(=O)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C19H26N4O/c1-13-5-3-4-6-17(13)22-14(2)19(24)23-16-9-7-15(8-10-16)18-11-20-12-21-18/h7-14,17,22H,3-6H2,1-2H3,(H,20,21)(H,23,24)
InChIKeyGVTNLEHKSHDTKK-UHFFFAOYSA-N
XLogP3.57
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide
CID 112768865
N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
CID 110471674
N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline
CID 64760237
(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946761
(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946763
(2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide
CID 104902852
2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 43709091
N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline
CID 43786474
2-(cyclopentylamino)-N-(4-methylphenyl)propanamide
CID 60638781
4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 60849609
(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide
CID 11939445
4-[[(2S)-2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]propanoyl]amino]benzamide
CID 11939553

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide?
The IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide (CID 102563631) is N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide is CC(NC1CCCCC1C)C(=O)Nc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide?
The InChIKey is GVTNLEHKSHDTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-5-3-4-6-17(13)22-14(2)19(24)23-16-9-7-15(8-10-16)18-11-20-12-21-18/h7-14,17,22H,3-6H2,1-2H3,(H,20,21)(H,23,24).
What are the key properties of N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide?
N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide is sourced from PubChem (CID 102563631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).