N-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide

C22H29N5O — CID 140686706

IUPACN-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC(c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)C1)C1CCCN1
InChIInChI=1S/C22H29N5O/c28-22(19-4-2-10-24-19)26-17-11-16(12-17)14-5-7-15(8-6-14)20-13-25-21(27-20)18-3-1-9-23-18/h5-8,13,16-19,23-24H,1-4,9-12H2,(H,25,27)(H,26,28)/t16?,17?,18-,19?/m0/s1
InChIKeyBILRBHVTOIMWKB-VVXOGMOBSA-N
MW379.51 g/mol
LogP2.62
Rot. Bonds5

About N-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide

N-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide (PubChem CID 140686706) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide
PubChem CID140686706
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC(c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)C1)C1CCCN1
InChIInChI=1S/C22H29N5O/c28-22(19-4-2-10-24-19)26-17-11-16(12-17)14-5-7-15(8-6-14)20-13-25-21(27-20)18-3-1-9-23-18/h5-8,13,16-19,23-24H,1-4,9-12H2,(H,25,27)(H,26,28)/t16?,17?,18-,19?/m0/s1
InChIKeyBILRBHVTOIMWKB-VVXOGMOBSA-N
XLogP2.62
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 70642413
(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
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
(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-amino-1-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]ethanone
CID 141292313
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678
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
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
5-[4-[5-propyl-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)cyclohex-3-en-1-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole
CID 91183056
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide (CID 140686706) is N-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide is O=C(NC1CC(c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)C1)C1CCCN1.
What is the InChIKey of N-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide?
The InChIKey is BILRBHVTOIMWKB-VVXOGMOBSA-N. The full InChI is InChI=1S/C22H29N5O/c28-22(19-4-2-10-24-19)26-17-11-16(12-17)14-5-7-15(8-6-14)20-13-25-21(27-20)18-3-1-9-23-18/h5-8,13,16-19,23-24H,1-4,9-12H2,(H,25,27)(H,26,28)/t16?,17?,18-,19?/m0/s1.
What are the key properties of N-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide?
N-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 2.62, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclobutyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 140686706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).