9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate

C33H30ClN3O2 — CID 71030032

IUPAC9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate
SMILESCC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C33H30ClN3O2/c1-21(2)31(32-35-29-16-7-8-17-30(29)37(32)19-22-10-9-11-23(34)18-22)36-33(38)39-20-28-26-14-5-3-12-24(26)25-13-4-6-15-27(25)28/h3-18,21,28,31H,19-20H2,1-2H3,(H,36,38)
InChIKeyWAWQXARUXXFHCB-UHFFFAOYSA-N
MW536.08 g/mol
LogP7.97
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate

9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate (PubChem CID 71030032) has the molecular formula C33H30ClN3O2 and a molecular weight of 536.08 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate
PubChem CID71030032
Molecular FormulaC33H30ClN3O2
Molecular Weight536.08 g/mol
Exact Mass535.20
IUPAC Name9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate
SMILESCC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C33H30ClN3O2/c1-21(2)31(32-35-29-16-7-8-17-30(29)37(32)19-22-10-9-11-23(34)18-22)36-33(38)39-20-28-26-14-5-3-12-24(26)25-13-4-6-15-27(25)28/h3-18,21,28,31H,19-20H2,1-2H3,(H,36,38)
InChIKeyWAWQXARUXXFHCB-UHFFFAOYSA-N
XLogP7.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.08
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide
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CID 155890095
1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole
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N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]ethyl]furan-2-carboxamide
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N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate (CID 71030032) is 9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate is CC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccccc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate?
The InChIKey is WAWQXARUXXFHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30ClN3O2/c1-21(2)31(32-35-29-16-7-8-17-30(29)37(32)19-22-10-9-11-23(34)18-22)36-33(38)39-20-28-26-14-5-3-12-24(26)25-13-4-6-15-27(25)28/h3-18,21,28,31H,19-20H2,1-2H3,(H,36,38).
What are the key properties of 9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate?
9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate has a molecular weight of 536.08 g/mol, XLogP of 7.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropyl]carbamate is sourced from PubChem (CID 71030032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).