2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole

C28H32N4 — CID 58384809

IUPAC2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole
SMILESC1=C(CCc2ccc(-c3ccc4nc(C5CCCC5)[nH]c4c3)cc2)CC([C@@H]2CCCN2)=N1
InChIInChI=1S/C28H32N4/c1-2-5-22(4-1)28-31-25-14-13-23(17-27(25)32-28)21-11-9-19(10-12-21)7-8-20-16-26(30-18-20)24-6-3-15-29-24/h9-14,17-18,22,24,29H,1-8,15-16H2,(H,31,32)/t24-/m0/s1
InChIKeyYXRMOJFSDKFEGE-DEOSSOPVSA-N
MW424.59 g/mol
LogP6.30
Rot. Bonds6

About 2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole

2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole (PubChem CID 58384809) has the molecular formula C28H32N4 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole
PubChem CID58384809
Molecular FormulaC28H32N4
Molecular Weight424.59 g/mol
Exact Mass424.26
IUPAC Name2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole
SMILESC1=C(CCc2ccc(-c3ccc4nc(C5CCCC5)[nH]c4c3)cc2)CC([C@@H]2CCCN2)=N1
InChIInChI=1S/C28H32N4/c1-2-5-22(4-1)28-31-25-14-13-23(17-27(25)32-28)21-11-9-19(10-12-21)7-8-20-16-26(30-18-20)24-6-3-15-29-24/h9-14,17-18,22,24,29H,1-8,15-16H2,(H,31,32)/t24-/m0/s1
InChIKeyYXRMOJFSDKFEGE-DEOSSOPVSA-N
XLogP6.30
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-6-[2-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]ethynyl]-1H-benzimidazole
CID 58384734
2-cyclopentyl-5-[2-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]ethyl]-1H-imidazole
CID 58516338
2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole
CID 59236993
6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 67062568
6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 58498768
2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole
CID 59450040
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-[2-(4-methylphenyl)ethynyl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 144601474
2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole
CID 129171884
2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline
CID 175282242
2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]buta-1,3-diynyl]-1H-imidazole
CID 157338327
3-(2-cyclopentyl-3H-pyrrol-4-yl)-7-[5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2-pyridinyl]quinoline
CID 58257351

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole (CID 58384809) is 2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole is C1=C(CCc2ccc(-c3ccc4nc(C5CCCC5)[nH]c4c3)cc2)CC([C@@H]2CCCN2)=N1.
What is the InChIKey of 2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole?
The InChIKey is YXRMOJFSDKFEGE-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H32N4/c1-2-5-22(4-1)28-31-25-14-13-23(17-27(25)32-28)21-11-9-19(10-12-21)7-8-20-16-26(30-18-20)24-6-3-15-29-24/h9-14,17-18,22,24,29H,1-8,15-16H2,(H,31,32)/t24-/m0/s1.
What are the key properties of 2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole?
2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole has a molecular weight of 424.59 g/mol, XLogP of 6.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]ethyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 58384809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).