1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

C23H21F3N4O2 — CID 146264231

IUPAC1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCCN1C(=O)[C@@H]1C[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)13-7-9-14(10-8-13)27-21(31)19-6-3-11-30(19)22(32)16-12-15(16)20-28-17-4-1-2-5-18(17)29-20/h1-2,4-5,7-10,15-16,19H,3,6,11-12H2,(H,27,31)(H,28,29)/t15-,16-,19?/m1/s1
InChIKeyBKNBFMZNBCOTJI-QNRNLVPOSA-N
MW442.44 g/mol
LogP4.31
Rot. Bonds4

About 1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 146264231) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID146264231
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC Name1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1CCCN1C(=O)[C@@H]1C[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)13-7-9-14(10-8-13)27-21(31)19-6-3-11-30(19)22(32)16-12-15(16)20-28-17-4-1-2-5-18(17)29-20/h1-2,4-5,7-10,15-16,19H,3,6,11-12H2,(H,27,31)(H,28,29)/t15-,16-,19?/m1/s1
InChIKeyBKNBFMZNBCOTJI-QNRNLVPOSA-N
XLogP4.31
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide
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(2R)-1-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 125150918
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CID 138993592
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CID 25388696
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CID 3231348
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 78798447
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CID 142403424

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 146264231) is 1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C1CCCN1C(=O)[C@@H]1C[C@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is BKNBFMZNBCOTJI-QNRNLVPOSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c24-23(25,26)13-7-9-14(10-8-13)27-21(31)19-6-3-11-30(19)22(32)16-12-15(16)20-28-17-4-1-2-5-18(17)29-20/h1-2,4-5,7-10,15-16,19H,3,6,11-12H2,(H,27,31)(H,28,29)/t15-,16-,19?/m1/s1.
What are the key properties of 1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 146264231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).