(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide

C27H26N4O2 — CID 15949607

IUPAC(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C27H26N4O2/c32-26(17-16-25-28-22-13-6-7-14-23(22)29-25)31-18-8-15-24(31)27(33)30-21-12-5-4-11-20(21)19-9-2-1-3-10-19/h1-7,9-14,24H,8,15-18H2,(H,28,29)(H,30,33)/t24-/m0/s1
InChIKeyDOWZNQOSUNYIHR-DEOSSOPVSA-N
MW438.53 g/mol
LogP4.79
Rot. Bonds6

About (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide

(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide (PubChem CID 15949607) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
PubChem CID15949607
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C27H26N4O2/c32-26(17-16-25-28-22-13-6-7-14-23(22)29-25)31-18-8-15-24(31)27(33)30-21-12-5-4-11-20(21)19-9-2-1-3-10-19/h1-7,9-14,24H,8,15-18H2,(H,28,29)(H,30,33)/t24-/m0/s1
InChIKeyDOWZNQOSUNYIHR-DEOSSOPVSA-N
XLogP4.79
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide (CID 15949607) is (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is DOWZNQOSUNYIHR-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H26N4O2/c32-26(17-16-25-28-22-13-6-7-14-23(22)29-25)31-18-8-15-24(31)27(33)30-21-12-5-4-11-20(21)19-9-2-1-3-10-19/h1-7,9-14,24H,8,15-18H2,(H,28,29)(H,30,33)/t24-/m0/s1.
What are the key properties of (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 15949607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).