2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone

C21H22N4O — CID 141292313

IUPAC2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone
SMILESNCC(=O)c1ccc(-c2ccc(-c3cnc(C4CCCN4)[nH]3)cc2)cc1
InChIInChI=1S/C21H22N4O/c22-12-20(26)17-9-5-15(6-10-17)14-3-7-16(8-4-14)19-13-24-21(25-19)18-2-1-11-23-18/h3-10,13,18,23H,1-2,11-12,22H2,(H,24,25)
InChIKeyKVTPLNNRUBUVHP-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.31
Rot. Bonds5

About 2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone

2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone (PubChem CID 141292313) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone
PubChem CID141292313
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone
SMILESNCC(=O)c1ccc(-c2ccc(-c3cnc(C4CCCN4)[nH]3)cc2)cc1
InChIInChI=1S/C21H22N4O/c22-12-20(26)17-9-5-15(6-10-17)14-3-7-16(8-4-14)19-13-24-21(25-19)18-2-1-11-23-18/h3-10,13,18,23H,1-2,11-12,22H2,(H,24,25)
InChIKeyKVTPLNNRUBUVHP-UHFFFAOYSA-N
XLogP3.31
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
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
(2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 70642413
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678
2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole
CID 91301281
5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650691
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
2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole
CID 58209611
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
tert-butyl N-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]carbamate
CID 141363740

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone?
The IUPAC name of 2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone (CID 141292313) is 2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone?
The canonical SMILES for 2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone is NCC(=O)c1ccc(-c2ccc(-c3cnc(C4CCCN4)[nH]3)cc2)cc1.
What is the InChIKey of 2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone?
The InChIKey is KVTPLNNRUBUVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c22-12-20(26)17-9-5-15(6-10-17)14-3-7-16(8-4-14)19-13-24-21(25-19)18-2-1-11-23-18/h3-10,13,18,23H,1-2,11-12,22H2,(H,24,25).
What are the key properties of 2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone?
2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone has a molecular weight of 346.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone is sourced from PubChem (CID 141292313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).