(2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide

C29H30N4O2 — CID 24961854

IUPAC(2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
SMILESCn1c(CCC(=O)N2CCC[C@@]2(C)C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21
InChIInChI=1S/C29H30N4O2/c1-29(28(35)31-23-14-7-6-13-22(23)21-11-4-3-5-12-21)19-10-20-33(29)27(34)18-17-26-30-24-15-8-9-16-25(24)32(26)2/h3-9,11-16H,10,17-20H2,1-2H3,(H,31,35)/t29-/m0/s1
InChIKeyHKYULCRQBJFKKZ-LJAQVGFWSA-N
MW466.59 g/mol
LogP5.19
Rot. Bonds6

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

(2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide (PubChem CID 24961854) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is (2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
PubChem CID24961854
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name(2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
SMILESCn1c(CCC(=O)N2CCC[C@@]2(C)C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21
InChIInChI=1S/C29H30N4O2/c1-29(28(35)31-23-14-7-6-13-22(23)21-11-4-3-5-12-21)19-10-20-33(29)27(34)18-17-26-30-24-15-8-9-16-25(24)32(26)2/h3-9,11-16H,10,17-20H2,1-2H3,(H,31,35)/t29-/m0/s1
InChIKeyHKYULCRQBJFKKZ-LJAQVGFWSA-N
XLogP5.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[2-(2-methoxy-3-pyridinyl)phenyl]-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxamide
CID 15949606
3-(1-methylbenzimidazol-2-yl)propanoate
CID 7036074
1-[(1-methylbenzimidazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 43470977
(2R)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 124590456
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1,3-dicarboxamide
CID 72927891
(2S)-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 15949233
2-[2-[3-(1-methylbenzimidazol-2-yl)propanoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 157241684
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 77081858
4-[3-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-oxopropyl]benzoic acid
CID 119185805
2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61070767

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide (CID 24961854) is (2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide is Cn1c(CCC(=O)N2CCC[C@@]2(C)C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21.
What is the InChIKey of (2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is HKYULCRQBJFKKZ-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-29(28(35)31-23-14-7-6-13-22(23)21-11-4-3-5-12-21)19-10-20-33(29)27(34)18-17-26-30-24-15-8-9-16-25(24)32(26)2/h3-9,11-16H,10,17-20H2,1-2H3,(H,31,35)/t29-/m0/s1.
What are the key properties of (2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide?
(2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 24961854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).