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

C27H29N7O — CID 24896872

IUPAC2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]c([C@@H]2CCCN2)nc1-c1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)cc1
InChIInChI=1S/C27H29N7O/c28-25(35)24-23(33-27(34-24)21-4-2-14-30-21)19-11-7-17(8-12-19)16-5-9-18(10-6-16)22-15-31-26(32-22)20-3-1-13-29-20/h5-12,15,20-21,29-30H,1-4,13-14H2,(H2,28,35)(H,31,32)(H,33,34)/t20-,21-/m0/s1
InChIKeyWFHMPWPUJAXOME-SFTDATJTSA-N
MW467.58 g/mol
LogP4.08
Rot. Bonds6

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

2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide (PubChem CID 24896872) has the molecular formula C27H29N7O and a molecular weight of 467.58 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide
PubChem CID24896872
Molecular FormulaC27H29N7O
Molecular Weight467.58 g/mol
Exact Mass467.24
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]c([C@@H]2CCCN2)nc1-c1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)cc1
InChIInChI=1S/C27H29N7O/c28-25(35)24-23(33-27(34-24)21-4-2-14-30-21)19-11-7-17(8-12-19)16-5-9-18(10-6-16)22-15-31-26(32-22)20-3-1-13-29-20/h5-12,15,20-21,29-30H,1-4,13-14H2,(H2,28,35)(H,31,32)(H,33,34)/t20-,21-/m0/s1
InChIKeyWFHMPWPUJAXOME-SFTDATJTSA-N
XLogP4.08
TPSA124.51 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 54.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 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) is 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide is NC(=O)c1[nH]c([C@@H]2CCCN2)nc1-c1ccc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)cc1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide?
The InChIKey is WFHMPWPUJAXOME-SFTDATJTSA-N. The full InChI is InChI=1S/C27H29N7O/c28-25(35)24-23(33-27(34-24)21-4-2-14-30-21)19-11-7-17(8-12-19)16-5-9-18(10-6-16)22-15-31-26(32-22)20-3-1-13-29-20/h5-12,15,20-21,29-30H,1-4,13-14H2,(H2,28,35)(H,31,32)(H,33,34)/t20-,21-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide?
2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide has a molecular weight of 467.58 g/mol, XLogP of 4.08, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 24896872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).