2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile

C15H15BrN4 — CID 58384693

IUPAC2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile
SMILESN#CCc1[nH]c([C@@H]2CCCN2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN4/c16-11-5-3-10(4-6-11)14-12(7-8-17)19-15(20-14)13-2-1-9-18-13/h3-6,13,18H,1-2,7,9H2,(H,19,20)/t13-/m0/s1
InChIKeyVUTBZVUDLRTHQF-ZDUSSCGKSA-N
MW331.22 g/mol
LogP3.33
Rot. Bonds3

About 2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile

2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile (PubChem CID 58384693) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile
PubChem CID58384693
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile
SMILESN#CCc1[nH]c([C@@H]2CCCN2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN4/c16-11-5-3-10(4-6-11)14-12(7-8-17)19-15(20-14)13-2-1-9-18-13/h3-6,13,18H,1-2,7,9H2,(H,19,20)/t13-/m0/s1
InChIKeyVUTBZVUDLRTHQF-ZDUSSCGKSA-N
XLogP3.33
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
CID 144634079
CID 144634079
4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole
CID 43650699
5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 136764448
2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile
CID 66518962
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678
13-bromo-5-[(2S)-pyrrolidin-2-yl]-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene
CID 143849320
CID 145019354
CID 145019354
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
2-[4-(4-bromophenyl)cyclopenta-1,3-dien-1-yl]pyrrolidine
CID 140809098
4-bromo-3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1H-pyrazole
CID 84604258

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile?
The IUPAC name of 2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile (CID 58384693) is 2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile?
The canonical SMILES for 2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile is N#CCc1[nH]c([C@@H]2CCCN2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile?
The InChIKey is VUTBZVUDLRTHQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15BrN4/c16-11-5-3-10(4-6-11)14-12(7-8-17)19-15(20-14)13-2-1-9-18-13/h3-6,13,18H,1-2,7,9H2,(H,19,20)/t13-/m0/s1.
What are the key properties of 2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile?
2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile has a molecular weight of 331.22 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]acetonitrile is sourced from PubChem (CID 58384693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).