2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide

C29H37N5O3 — CID 93151288

IUPAC2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
SMILESCC(C)NC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C[C@@H]1CCCO1
InChIInChI=1S/C29H37N5O3/c1-20(2)22-12-14-24(15-13-22)34-18-26(23-9-6-5-7-10-23)31-28(34)32-27(35)19-33(29(36)30-21(3)4)17-25-11-8-16-37-25/h5-7,9-10,12-15,18,20-21,25H,8,11,16-17,19H2,1-4H3,(H,30,36)(H,31,32,35)/t25-/m0/s1
InChIKeyBIHNRBBVWHDRBE-VWLOTQADSA-N
MW503.65 g/mol
LogP5.20
Rot. Bonds9

About 2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide

2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide (PubChem CID 93151288) has the molecular formula C29H37N5O3 and a molecular weight of 503.65 g/mol. Its IUPAC name is 2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
PubChem CID93151288
Molecular FormulaC29H37N5O3
Molecular Weight503.65 g/mol
Exact Mass503.29
IUPAC Name2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
SMILESCC(C)NC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C[C@@H]1CCCO1
InChIInChI=1S/C29H37N5O3/c1-20(2)22-12-14-24(15-13-22)34-18-26(23-9-6-5-7-10-23)31-28(34)32-27(35)19-33(29(36)30-21(3)4)17-25-11-8-16-37-25/h5-7,9-10,12-15,18,20-21,25H,8,11,16-17,19H2,1-4H3,(H,30,36)(H,31,32,35)/t25-/m0/s1
InChIKeyBIHNRBBVWHDRBE-VWLOTQADSA-N
XLogP5.20
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]butanamide
CID 93151283
2-methyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]benzamide
CID 42826865
N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]thiophene-2-carboxamide
CID 93151281
N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide
CID 93150451
N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[oxolan-2-ylmethyl(propan-2-ylcarbamoyl)amino]acetamide
CID 46144666
N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 93151026
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 93151653
N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 93153009
N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 93153743
4-chloro-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide
CID 42829750
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98437025
N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93151678

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The IUPAC name of 2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide (CID 93151288) is 2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide.
What is the SMILES notation for 2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The canonical SMILES for 2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide is CC(C)NC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C[C@@H]1CCCO1.
What is the InChIKey of 2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The InChIKey is BIHNRBBVWHDRBE-VWLOTQADSA-N. The full InChI is InChI=1S/C29H37N5O3/c1-20(2)22-12-14-24(15-13-22)34-18-26(23-9-6-5-7-10-23)31-28(34)32-27(35)19-33(29(36)30-21(3)4)17-25-11-8-16-37-25/h5-7,9-10,12-15,18,20-21,25H,8,11,16-17,19H2,1-4H3,(H,30,36)(H,31,32,35)/t25-/m0/s1.
What are the key properties of 2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide has a molecular weight of 503.65 g/mol, XLogP of 5.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide is sourced from PubChem (CID 93151288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).