4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide

C31H30N4O2 — CID 67724159

IUPAC4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide
SMILESCNC(=O)C(Cc1cnc[nH]1)C(c1cccc2ccccc12)C(Cc1cccc2ccccc12)C(N)=O
InChIInChI=1S/C31H30N4O2/c1-33-31(37)28(17-23-18-34-19-35-23)29(26-15-7-11-21-9-3-5-14-25(21)26)27(30(32)36)16-22-12-6-10-20-8-2-4-13-24(20)22/h2-15,18-19,27-29H,16-17H2,1H3,(H2,32,36)(H,33,37)(H,34,35)
InChIKeyOEAFHSGOFCEQPD-UHFFFAOYSA-N
MW490.61 g/mol
LogP4.75
Rot. Bonds9

About 4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide

4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide (PubChem CID 67724159) has the molecular formula C31H30N4O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide
PubChem CID67724159
Molecular FormulaC31H30N4O2
Molecular Weight490.61 g/mol
Exact Mass490.24
IUPAC Name4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide
SMILESCNC(=O)C(Cc1cnc[nH]1)C(c1cccc2ccccc12)C(Cc1cccc2ccccc12)C(N)=O
InChIInChI=1S/C31H30N4O2/c1-33-31(37)28(17-23-18-34-19-35-23)29(26-15-7-11-21-9-3-5-14-25(21)26)27(30(32)36)16-22-12-6-10-20-8-2-4-13-24(20)22/h2-15,18-19,27-29H,16-17H2,1H3,(H2,32,36)(H,33,37)(H,34,35)
InChIKeyOEAFHSGOFCEQPD-UHFFFAOYSA-N
XLogP4.75
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-imidazol-5-yl)-1-(methylamino)-1-oxopropan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 19593532
(3S)-3-amino-4-(1H-imidazol-5-yl)-1-naphthalen-1-ylbutan-2-one;dihydrochloride
CID 44582648
N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 19593545
(2S)-3-(1H-imidazol-5-yl)-2-methyl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propyl]amino]propanamide
CID 67722966
N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 54018973
3-hydroxy-4-[[(2S)-3-(1H-imidazol-5-yl)-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoyl]amino]-6-methylheptanamide
CID 70460235
N-[1-(2-ethylsulfanylethylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 67599958
(2S)-2-amino-N-[(2S)-3-(1H-imidazol-5-yl)-1-(methylamino)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 59029626
N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-(4-aminopiperidin-1-yl)-2-(naphthalen-1-ylmethyl)-4-oxobutanamide
CID 70043239
N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide
CID 14600113
benzyl N-[(2R)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate
CID 173420964
N-[(2S)-1-[[(3S,4S)-1-hydrazinyl-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 15594287

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide?
The IUPAC name of 4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide (CID 67724159) is 4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide?
The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide is CNC(=O)C(Cc1cnc[nH]1)C(c1cccc2ccccc12)C(Cc1cccc2ccccc12)C(N)=O.
What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide?
The InChIKey is OEAFHSGOFCEQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O2/c1-33-31(37)28(17-23-18-34-19-35-23)29(26-15-7-11-21-9-3-5-14-25(21)26)27(30(32)36)16-22-12-6-10-20-8-2-4-13-24(20)22/h2-15,18-19,27-29H,16-17H2,1H3,(H2,32,36)(H,33,37)(H,34,35).
What are the key properties of 4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide?
4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide has a molecular weight of 490.61 g/mol, XLogP of 4.75, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethyl)-N'-methyl-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)pentanediamide is sourced from PubChem (CID 67724159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).