1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide

C26H27N3O2 — CID 57324110

IUPAC1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide
SMILESC[C@H](OCc1ccccc1)[C@@H](CCc1cccc2ccccc12)n1cnc(C(N)=O)c1
InChIInChI=1S/C26H27N3O2/c1-19(31-17-20-8-3-2-4-9-20)25(29-16-24(26(27)30)28-18-29)15-14-22-12-7-11-21-10-5-6-13-23(21)22/h2-13,16,18-19,25H,14-15,17H2,1H3,(H2,27,30)/t19-,25+/m0/s1
InChIKeyUNICGWLCMLNZES-UQBPGWFLSA-N
MW413.52 g/mol
LogP4.91
Rot. Bonds9

About 1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide

1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide (PubChem CID 57324110) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide
PubChem CID57324110
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide
SMILESC[C@H](OCc1ccccc1)[C@@H](CCc1cccc2ccccc12)n1cnc(C(N)=O)c1
InChIInChI=1S/C26H27N3O2/c1-19(31-17-20-8-3-2-4-9-20)25(29-16-24(26(27)30)28-18-29)15-14-22-12-7-11-21-10-5-6-13-23(21)22/h2-13,16,18-19,25H,14-15,17H2,1H3,(H2,27,30)/t19-,25+/m0/s1
InChIKeyUNICGWLCMLNZES-UQBPGWFLSA-N
XLogP4.91
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(6-chloronaphthalen-1-yl)-4-hydroxypentan-3-yl]imidazole-4-carboxamide
CID 10269741
(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol
CID 57321321
1-[(3R,4S)-4-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-3-yl]imidazole-4-carboxamide
CID 57175495
1-[(3R,4S)-1-[2-(2-benzylsulfanylphenyl)-1,3-benzoxazol-7-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide
CID 69102677
1-[(3R,4S)-4-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-7-yl]pentan-3-yl]imidazole-4-carboxamide
CID 10288454
1-(6-phenyl-2-phenylmethoxyhexyl)imidazole-4-carboxamide
CID 22628453
1-[1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide
CID 85065761
1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide
CID 22628457
(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid
CID 104876043
2-(2-naphthalen-1-ylethoxy)propanamide
CID 90988420
2-[(3R,4S)-1-(2-chlorophenyl)-4-phenylmethoxypentan-3-yl]-1H-imidazole-5-carboxamide
CID 70095661
(2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid
CID 10799879

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide (CID 57324110) is 1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide is C[C@H](OCc1ccccc1)[C@@H](CCc1cccc2ccccc12)n1cnc(C(N)=O)c1.
What is the InChIKey of 1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide?
The InChIKey is UNICGWLCMLNZES-UQBPGWFLSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19(31-17-20-8-3-2-4-9-20)25(29-16-24(26(27)30)28-18-29)15-14-22-12-7-11-21-10-5-6-13-23(21)22/h2-13,16,18-19,25H,14-15,17H2,1H3,(H2,27,30)/t19-,25+/m0/s1.
What are the key properties of 1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide?
1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-yl]imidazole-4-carboxamide is sourced from PubChem (CID 57324110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).