[(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid

C23H27N3O2 — CID 67214672

IUPAC[(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid
SMILESCC(C)(C)C(C[C@@H](NC(=O)O)c1ncc(-c2ccccc2)[nH]1)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-23(2,3)18(16-10-6-4-7-11-16)14-19(26-22(27)28)21-24-15-20(25-21)17-12-8-5-9-13-17/h4-13,15,18-19,26H,14H2,1-3H3,(H,24,25)(H,27,28)/t18?,19-/m1/s1
InChIKeySGNHGOCCIQFLPL-MUMRKEEXSA-N
MW377.49 g/mol
LogP5.61
Rot. Bonds6

About [(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid

[(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid (PubChem CID 67214672) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is [(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid.

Molecular Properties

Compound Name[(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid
PubChem CID67214672
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name[(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid
SMILESCC(C)(C)C(C[C@@H](NC(=O)O)c1ncc(-c2ccccc2)[nH]1)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-23(2,3)18(16-10-6-4-7-11-16)14-19(26-22(27)28)21-24-15-20(25-21)17-12-8-5-9-13-17/h4-13,15,18-19,26H,14H2,1-3H3,(H,24,25)(H,27,28)/t18?,19-/m1/s1
InChIKeySGNHGOCCIQFLPL-MUMRKEEXSA-N
XLogP5.61
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[3,3-dimethyl-2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]butyl]carbamic acid
CID 69443380
N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-propan-2-yloxypropanamide
CID 94814571
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
CID 47076390
N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]-3-(pyrimidin-2-ylamino)propanamide
CID 51128542
2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol
CID 141125833
[1-(carboxyamino)-6,6-dimethyl-5-phenylheptan-3-yl]carbamic acid
CID 175536063
tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
CID 59838366
3-(2-methoxyethoxy)-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 51099230
3-(2-methoxyethoxy)-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)propyl]propanamide
CID 94821044
[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
CID 141368702
5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95301132
tert-butyl 2-[[1-[5-[4-[4-[2-[2,2-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-oxoacetate
CID 123955474

Frequently Asked Questions

What is the IUPAC name of [(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid?
The IUPAC name of [(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid (CID 67214672) is [(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid.
What is the SMILES notation for [(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid?
The canonical SMILES for [(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid is CC(C)(C)C(C[C@@H](NC(=O)O)c1ncc(-c2ccccc2)[nH]1)c1ccccc1.
What is the InChIKey of [(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid?
The InChIKey is SGNHGOCCIQFLPL-MUMRKEEXSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-23(2,3)18(16-10-6-4-7-11-16)14-19(26-22(27)28)21-24-15-20(25-21)17-12-8-5-9-13-17/h4-13,15,18-19,26H,14H2,1-3H3,(H,24,25)(H,27,28)/t18?,19-/m1/s1.
What are the key properties of [(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid?
[(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid has a molecular weight of 377.49 g/mol, XLogP of 5.61, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4,4-dimethyl-3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)pentyl]carbamic acid is sourced from PubChem (CID 67214672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).