2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole

C30H30N6 — CID 59450040

IUPAC2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole
SMILESc1cc(-c2ccc3nc([C@@H]4CCCN4)[nH]c3c2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1
InChIInChI=1S/C30H30N6/c1-3-25(31-15-1)29-33-18-28(36-29)22-11-9-20(10-12-22)19-5-7-21(8-6-19)23-13-14-24-27(17-23)35-30(34-24)26-4-2-16-32-26/h5-14,17-18,25-26,31-32H,1-4,15-16H2,(H,33,36)(H,34,35)/t25-,26-/m0/s1
InChIKeyFDUXNRXEGUHZJC-UIOOFZCWSA-N
MW474.61 g/mol
LogP6.14
Rot. Bonds5

About 2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole

2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole (PubChem CID 59450040) has the molecular formula C30H30N6 and a molecular weight of 474.61 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole
PubChem CID59450040
Molecular FormulaC30H30N6
Molecular Weight474.61 g/mol
Exact Mass474.25
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole
SMILESc1cc(-c2ccc3nc([C@@H]4CCCN4)[nH]c3c2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1
InChIInChI=1S/C30H30N6/c1-3-25(31-15-1)29-33-18-28(36-29)22-11-9-20(10-12-22)19-5-7-21(8-6-19)23-13-14-24-27(17-23)35-30(34-24)26-4-2-16-32-26/h5-14,17-18,25-26,31-32H,1-4,15-16H2,(H,33,36)(H,34,35)/t25-,26-/m0/s1
InChIKeyFDUXNRXEGUHZJC-UIOOFZCWSA-N
XLogP6.14
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 56.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole
CID 66982264
6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 67062568
6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole
CID 141284413
4-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]spiro[3H-indene-2,1'-cyclopentane]-1-one
CID 90137531
tert-butyl (2S)-2-[6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 67681777
2-[2-[(2S,5R)-5-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline
CID 147367127
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
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
3-[6-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]tricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one
CID 90385690
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843
2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole
CID 129171884
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole (CID 59450040) is 2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole is c1cc(-c2ccc3nc([C@@H]4CCCN4)[nH]c3c2)ccc1-c1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole?
The InChIKey is FDUXNRXEGUHZJC-UIOOFZCWSA-N. The full InChI is InChI=1S/C30H30N6/c1-3-25(31-15-1)29-33-18-28(36-29)22-11-9-20(10-12-22)19-5-7-21(8-6-19)23-13-14-24-27(17-23)35-30(34-24)26-4-2-16-32-26/h5-14,17-18,25-26,31-32H,1-4,15-16H2,(H,33,36)(H,34,35)/t25-,26-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole?
2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole has a molecular weight of 474.61 g/mol, XLogP of 6.14, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 59450040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).