9H-fluoren-9-ylmethyl N-[(2R)-1-(1H-benzimidazol-2-yl)propan-2-yl]carbamate

C25H23N3O2 — CID 175848235

IUPAC9H-fluoren-9-ylmethyl N-[(2R)-1-(1H-benzimidazol-2-yl)propan-2-yl]carbamate
SMILESC[C@H](Cc1nc2ccccc2[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H23N3O2/c1-16(14-24-27-22-12-6-7-13-23(22)28-24)26-25(29)30-15-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h2-13,16,21H,14-15H2,1H3,(H,26,29)(H,27,28)/t16-/m1/s1
InChIKeySWYYREGMUBTHLE-MRXNPFEDSA-N
MW397.48 g/mol
LogP5.03
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[(2R)-1-(1H-benzimidazol-2-yl)propan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2R)-1-(1H-benzimidazol-2-yl)propan-2-yl]carbamate (PubChem CID 175848235) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2R)-1-(1H-benzimidazol-2-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2R)-1-(1H-benzimidazol-2-yl)propan-2-yl]carbamate
PubChem CID175848235
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name9H-fluoren-9-ylmethyl N-[(2R)-1-(1H-benzimidazol-2-yl)propan-2-yl]carbamate
SMILESC[C@H](Cc1nc2ccccc2[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H23N3O2/c1-16(14-24-27-22-12-6-7-13-23(22)28-24)26-25(29)30-15-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h2-13,16,21H,14-15H2,1H3,(H,26,29)(H,27,28)/t16-/m1/s1
InChIKeySWYYREGMUBTHLE-MRXNPFEDSA-N
XLogP5.03
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-1-(1H-benzimidazol-2-yl)propan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-1-(1H-benzimidazol-2-yl)propan-2-yl]carbamate (CID 175848235) is 9H-fluoren-9-ylmethyl N-[(2R)-1-(1H-benzimidazol-2-yl)propan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2R)-1-(1H-benzimidazol-2-yl)propan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2R)-1-(1H-benzimidazol-2-yl)propan-2-yl]carbamate is C[C@H](Cc1nc2ccccc2[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2R)-1-(1H-benzimidazol-2-yl)propan-2-yl]carbamate?
The InChIKey is SWYYREGMUBTHLE-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-16(14-24-27-22-12-6-7-13-23(22)28-24)26-25(29)30-15-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h2-13,16,21H,14-15H2,1H3,(H,26,29)(H,27,28)/t16-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2R)-1-(1H-benzimidazol-2-yl)propan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2R)-1-(1H-benzimidazol-2-yl)propan-2-yl]carbamate has a molecular weight of 397.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2R)-1-(1H-benzimidazol-2-yl)propan-2-yl]carbamate is sourced from PubChem (CID 175848235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).