N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide

C20H27N5O2 — CID 136578959

IUPACN-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide
SMILESO=C(CCNC(=O)NCc1ccccc1-n1ccnc1)NC1CCCCC1
InChIInChI=1S/C20H27N5O2/c26-19(24-17-7-2-1-3-8-17)10-11-22-20(27)23-14-16-6-4-5-9-18(16)25-13-12-21-15-25/h4-6,9,12-13,15,17H,1-3,7-8,10-11,14H2,(H,24,26)(H2,22,23,27)
InChIKeyYIIBFVAZIIMXGR-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.51
Rot. Bonds7

About N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide

N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide (PubChem CID 136578959) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide
PubChem CID136578959
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide
SMILESO=C(CCNC(=O)NCc1ccccc1-n1ccnc1)NC1CCCCC1
InChIInChI=1S/C20H27N5O2/c26-19(24-17-7-2-1-3-8-17)10-11-22-20(27)23-14-16-6-4-5-9-18(16)25-13-12-21-15-25/h4-6,9,12-13,15,17H,1-3,7-8,10-11,14H2,(H,24,26)(H2,22,23,27)
InChIKeyYIIBFVAZIIMXGR-UHFFFAOYSA-N
XLogP2.51
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110959252
1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 111630738
N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine
CID 129369503
N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide
CID 71862995
1-[(2-imidazol-1-ylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 60580591
N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72874428
1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 60580594
N'-cyclopentyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]butanediamide
CID 46995343
N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 92680048
(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94658479
2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide
CID 60576964

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide?
The IUPAC name of N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide (CID 136578959) is N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide is O=C(CCNC(=O)NCc1ccccc1-n1ccnc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide?
The InChIKey is YIIBFVAZIIMXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-19(24-17-7-2-1-3-8-17)10-11-22-20(27)23-14-16-6-4-5-9-18(16)25-13-12-21-15-25/h4-6,9,12-13,15,17H,1-3,7-8,10-11,14H2,(H,24,26)(H2,22,23,27).
What are the key properties of N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide?
N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide has a molecular weight of 369.47 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide is sourced from PubChem (CID 136578959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).