(2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide

C25H29N5O — CID 70642413

IUPAC(2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)cc1)[C@@H]1CCCN1
InChIInChI=1S/C25H29N5O/c31-25(22-4-2-14-27-22)29-15-17-5-7-18(8-6-17)19-9-11-20(12-10-19)23-16-28-24(30-23)21-3-1-13-26-21/h5-12,16,21-22,26-27H,1-4,13-15H2,(H,28,30)(H,29,31)/t21-,22-/m0/s1
InChIKeyPHQKYDBFJBOIKE-VXKWHMMOSA-N
MW415.54 g/mol
LogP3.54
Rot. Bonds6

About (2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 70642413) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is (2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID70642413
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name(2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)cc1)[C@@H]1CCCN1
InChIInChI=1S/C25H29N5O/c31-25(22-4-2-14-27-22)29-15-17-5-7-18(8-6-17)19-9-11-20(12-10-19)23-16-28-24(30-23)21-3-1-13-26-21/h5-12,16,21-22,26-27H,1-4,13-15H2,(H,28,30)(H,29,31)/t21-,22-/m0/s1
InChIKeyPHQKYDBFJBOIKE-VXKWHMMOSA-N
XLogP3.54
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide
CID 140686706
(2S)-N-[4-[2-phenyl-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethyl]phenyl]pyrrolidine-2-carboxamide
CID 67501037
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843
2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone
CID 141292313
(2S)-N-[4-[1-(4-fluorophenyl)-5-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]pyrrolidin-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 68784734
2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole
CID 58209611
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyridine
CID 24950799
2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide
CID 24896872
N-methyl-2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide
CID 24897099

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide (CID 70642413) is (2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)cc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is PHQKYDBFJBOIKE-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H29N5O/c31-25(22-4-2-14-27-22)29-15-17-5-7-18(8-6-17)19-9-11-20(12-10-19)23-16-28-24(30-23)21-3-1-13-26-21/h5-12,16,21-22,26-27H,1-4,13-15H2,(H,28,30)(H,29,31)/t21-,22-/m0/s1.
What are the key properties of (2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70642413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).