N-[(R)-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3H-benzimidazol-5-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide

C23H29F5N4O2 — CID 171777805

IUPACN-[(R)-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3H-benzimidazol-5-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESCC(C)(OC[C@H](N)c1nc2ccc([C@H](NC(=O)CC3CC(F)(F)C3)C3CC3)cc2[nH]1)C(F)(F)F
InChIInChI=1S/C23H29F5N4O2/c1-21(2,23(26,27)28)34-11-15(29)20-30-16-6-5-14(8-17(16)31-20)19(13-3-4-13)32-18(33)7-12-9-22(24,25)10-12/h5-6,8,12-13,15,19H,3-4,7,9-11,29H2,1-2H3,(H,30,31)(H,32,33)/t15-,19+/m0/s1
InChIKeyZLOYSSDGKSMFJB-HNAYVOBHSA-N
MW488.50 g/mol
LogP4.92
Rot. Bonds9

About N-[(R)-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3H-benzimidazol-5-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide

N-[(R)-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3H-benzimidazol-5-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 171777805) has the molecular formula C23H29F5N4O2 and a molecular weight of 488.50 g/mol. Its IUPAC name is N-[(R)-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3H-benzimidazol-5-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-[(R)-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3H-benzimidazol-5-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID171777805
Molecular FormulaC23H29F5N4O2
Molecular Weight488.50 g/mol
Exact Mass488.22
IUPAC NameN-[(R)-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3H-benzimidazol-5-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESCC(C)(OC[C@H](N)c1nc2ccc([C@H](NC(=O)CC3CC(F)(F)C3)C3CC3)cc2[nH]1)C(F)(F)F
InChIInChI=1S/C23H29F5N4O2/c1-21(2,23(26,27)28)34-11-15(29)20-30-16-6-5-14(8-17(16)31-20)19(13-3-4-13)32-18(33)7-12-9-22(24,25)10-12/h5-6,8,12-13,15,19H,3-4,7,9-11,29H2,1-2H3,(H,30,31)(H,32,33)/t15-,19+/m0/s1
InChIKeyZLOYSSDGKSMFJB-HNAYVOBHSA-N
XLogP4.92
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3H-benzimidazol-5-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-[(R)-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3H-benzimidazol-5-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide (CID 171777805) is N-[(R)-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3H-benzimidazol-5-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-[(R)-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3H-benzimidazol-5-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-[(R)-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3H-benzimidazol-5-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide is CC(C)(OC[C@H](N)c1nc2ccc([C@H](NC(=O)CC3CC(F)(F)C3)C3CC3)cc2[nH]1)C(F)(F)F.
What is the InChIKey of N-[(R)-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3H-benzimidazol-5-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is ZLOYSSDGKSMFJB-HNAYVOBHSA-N. The full InChI is InChI=1S/C23H29F5N4O2/c1-21(2,23(26,27)28)34-11-15(29)20-30-16-6-5-14(8-17(16)31-20)19(13-3-4-13)32-18(33)7-12-9-22(24,25)10-12/h5-6,8,12-13,15,19H,3-4,7,9-11,29H2,1-2H3,(H,30,31)(H,32,33)/t15-,19+/m0/s1.
What are the key properties of N-[(R)-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3H-benzimidazol-5-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide?
N-[(R)-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3H-benzimidazol-5-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 488.50 g/mol, XLogP of 4.92, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-3H-benzimidazol-5-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 171777805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).