2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole

C23H21BrN4 — CID 67062553

IUPAC2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole
SMILESBrc1ccc(CN2CCCC2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1
InChIInChI=1S/C23H21BrN4/c24-19-6-3-16(4-7-19)15-28-13-1-2-22(28)23-26-20-8-5-18(14-21(20)27-23)17-9-11-25-12-10-17/h3-12,14,22H,1-2,13,15H2,(H,26,27)
InChIKeyOCRNKDGWORRVSZ-UHFFFAOYSA-N
MW433.35 g/mol
LogP5.72
Rot. Bonds4

About 2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole

2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole (PubChem CID 67062553) has the molecular formula C23H21BrN4 and a molecular weight of 433.35 g/mol. Its IUPAC name is 2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole
PubChem CID67062553
Molecular FormulaC23H21BrN4
Molecular Weight433.35 g/mol
Exact Mass432.09
IUPAC Name2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole
SMILESBrc1ccc(CN2CCCC2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1
InChIInChI=1S/C23H21BrN4/c24-19-6-3-16(4-7-19)15-28-13-1-2-22(28)23-26-20-8-5-18(14-21(20)27-23)17-9-11-25-12-10-17/h3-12,14,22H,1-2,13,15H2,(H,26,27)
InChIKeyOCRNKDGWORRVSZ-UHFFFAOYSA-N
XLogP5.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.35
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]-1H-benzimidazole
CID 67062523
2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;bis(2,2,2-trifluoroacetic acid)
CID 117074853
6-chloro-2-[(2S)-1-[(4-nitrophenyl)methyl]pyrrolidin-2-yl]-1H-benzimidazole
CID 124886715
6-bromo-2-[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-2-yl]-1H-benzimidazole
CID 123588844
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128979700
6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 67062568
6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 70716486
2-phenyl-1-[(2S)-2-[6-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone;sulfane
CID 160567212
3-(dimethylamino)-1-[(2S)-2-[6-[4-[2-[(2S)-1-[3-(dimethylamino)propanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;sulfane
CID 161235105
5-[[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 42096814
4-[[(2S)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyridine
CID 91653959
[(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 141198459

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole?
The IUPAC name of 2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole (CID 67062553) is 2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole?
The canonical SMILES for 2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole is Brc1ccc(CN2CCCC2c2nc3ccc(-c4ccncc4)cc3[nH]2)cc1.
What is the InChIKey of 2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole?
The InChIKey is OCRNKDGWORRVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4/c24-19-6-3-16(4-7-19)15-28-13-1-2-22(28)23-26-20-8-5-18(14-21(20)27-23)17-9-11-25-12-10-17/h3-12,14,22H,1-2,13,15H2,(H,26,27).
What are the key properties of 2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole?
2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole has a molecular weight of 433.35 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole is sourced from PubChem (CID 67062553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).