9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate

C33H29N3O3 — CID 57237977

IUPAC9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate
SMILESCOc1cccc(-c2cnc(C(Cc3ccccc3)NC(=O)OCc3cccc4c3Cc3ccccc3-4)[nH]2)c1
InChIInChI=1S/C33H29N3O3/c1-38-26-14-7-12-24(18-26)31-20-34-32(35-31)30(17-22-9-3-2-4-10-22)36-33(37)39-21-25-13-8-16-28-27-15-6-5-11-23(27)19-29(25)28/h2-16,18,20,30H,17,19,21H2,1H3,(H,34,35)(H,36,37)
InChIKeyXGMAAWHEXKYZAV-UHFFFAOYSA-N
MW515.61 g/mol
LogP6.87
Rot. Bonds8

About 9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate

9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate (PubChem CID 57237977) has the molecular formula C33H29N3O3 and a molecular weight of 515.61 g/mol. Its IUPAC name is 9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate
PubChem CID57237977
Molecular FormulaC33H29N3O3
Molecular Weight515.61 g/mol
Exact Mass515.22
IUPAC Name9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate
SMILESCOc1cccc(-c2cnc(C(Cc3ccccc3)NC(=O)OCc3cccc4c3Cc3ccccc3-4)[nH]2)c1
InChIInChI=1S/C33H29N3O3/c1-38-26-14-7-12-24(18-26)31-20-34-32(35-31)30(17-22-9-3-2-4-10-22)36-33(37)39-21-25-13-8-16-28-27-15-6-5-11-23(27)19-29(25)28/h2-16,18,20,30H,17,19,21H2,1H3,(H,34,35)(H,36,37)
InChIKeyXGMAAWHEXKYZAV-UHFFFAOYSA-N
XLogP6.87
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate with MolForge

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Related Compounds

3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
CID 174897078
(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid
CID 14767788
2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881507
3-amino-2-(9H-fluoren-1-ylmethoxycarbonyl)-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid
CID 163282925
benzyl N-[2-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]-1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 58746496
(2R)-5-(9H-fluoren-1-ylmethoxycarbonylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 165175181
9H-fluoren-1-ylmethyl N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 70059068
tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
CID 59838366
2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 175252148
tert-butyl N-[(1R)-2-(3H-inden-1-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
CID 58325937
2-[3-[2-[1-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-phenylethyl]-1H-imidazol-5-yl]phenyl]acetic acid
CID 66674691
2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride
CID 146085855

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate?
The IUPAC name of 9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate (CID 57237977) is 9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate.
What is the SMILES notation for 9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate?
The canonical SMILES for 9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate is COc1cccc(-c2cnc(C(Cc3ccccc3)NC(=O)OCc3cccc4c3Cc3ccccc3-4)[nH]2)c1.
What is the InChIKey of 9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate?
The InChIKey is XGMAAWHEXKYZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O3/c1-38-26-14-7-12-24(18-26)31-20-34-32(35-31)30(17-22-9-3-2-4-10-22)36-33(37)39-21-25-13-8-16-28-27-15-6-5-11-23(27)19-29(25)28/h2-16,18,20,30H,17,19,21H2,1H3,(H,34,35)(H,36,37).
What are the key properties of 9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate?
9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate has a molecular weight of 515.61 g/mol, XLogP of 6.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-1-ylmethyl N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate is sourced from PubChem (CID 57237977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).