2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-7-yl]-1H-imidazole

C29H29N5O — CID 58315892

IUPAC2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-7-yl]-1H-imidazole
SMILESc1cc2c(-c3ccc(-c4cnc([C@@H]5CCCN5)[nH]4)cc3)ccc(-c3cnc(C4CCCC4)[nH]3)c2o1
InChIInChI=1S/C29H29N5O/c1-2-5-20(4-1)28-31-17-26(34-28)23-12-11-21(22-13-15-35-27(22)23)18-7-9-19(10-8-18)25-16-32-29(33-25)24-6-3-14-30-24/h7-13,15-17,20,24,30H,1-6,14H2,(H,31,34)(H,32,33)/t24-/m0/s1
InChIKeyOLLMIWQQRROBMO-DEOSSOPVSA-N
MW463.59 g/mol
LogP6.96
Rot. Bonds5

About 2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-7-yl]-1H-imidazole

2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-7-yl]-1H-imidazole (PubChem CID 58315892) has the molecular formula C29H29N5O and a molecular weight of 463.59 g/mol. Its IUPAC name is 2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-7-yl]-1H-imidazole.

Molecular Properties

Compound Name2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-7-yl]-1H-imidazole
PubChem CID58315892
Molecular FormulaC29H29N5O
Molecular Weight463.59 g/mol
Exact Mass463.24
IUPAC Name2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-7-yl]-1H-imidazole
SMILESc1cc2c(-c3ccc(-c4cnc([C@@H]5CCCN5)[nH]4)cc3)ccc(-c3cnc(C4CCCC4)[nH]3)c2o1
InChIInChI=1S/C29H29N5O/c1-2-5-20(4-1)28-31-17-26(34-28)23-12-11-21(22-13-15-35-27(22)23)18-7-9-19(10-8-18)25-16-32-29(33-25)24-6-3-14-30-24/h7-13,15-17,20,24,30H,1-6,14H2,(H,31,34)(H,32,33)/t24-/m0/s1
InChIKeyOLLMIWQQRROBMO-DEOSSOPVSA-N
XLogP6.96
TPSA82.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.59
LogP ≤ 56.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(1S)-1-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]benzofuran-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 49779868
methyl N-[(1S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 59610884
methyl N-[(1S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 118724234
2-[4-[5-(1H-imidazol-2-yl)benzofuran-2-yl]phenyl]-1H-imidazole
CID 15954950
2-((S)-pyrrolidin-2-yl)-5-(2-(4-(5-((s)-pyrrolidin-2-yl)-1h-imidazol-2-yl)phenyl)benzofuran-5-yl)-1h-imidazole
CID 118716078
6-dibenzofuran-1-yl-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine
CID 172438797
8-[4-[(dimethylamino)methyl]-2-methylphenyl]-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]-1H-imidazo[1,2-c]pyrimidin-4-ium-2-carbonitrile
CID 165416298
methyl N-[(1S)-1-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]benzofuran-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 72723176
ethyl 2-[5-[3-fluoro-4-[5-(1-phenylcyclopropyl)-1-benzofuran-2-yl]phenyl]-1H-imidazol-2-yl]acetate
CID 67575772
5-[2-fluoro-4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-1-benzofuran-2-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 68052926
2-[3-fluoro-2-[2-(5-methyl-1-benzofuran-7-yl)ethyl]phenyl]-1H-imidazole
CID 70992611
N-[(1S)-1-[5-[4-[6-[2-[(1S)-1-[(4,4-difluorocyclohexanecarbonyl)amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]-1-benzofuran-2-yl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide
CID 89694782

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-7-yl]-1H-imidazole?
The IUPAC name of 2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-7-yl]-1H-imidazole (CID 58315892) is 2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-7-yl]-1H-imidazole.
What is the SMILES notation for 2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-7-yl]-1H-imidazole?
The canonical SMILES for 2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-7-yl]-1H-imidazole is c1cc2c(-c3ccc(-c4cnc([C@@H]5CCCN5)[nH]4)cc3)ccc(-c3cnc(C4CCCC4)[nH]3)c2o1.
What is the InChIKey of 2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-7-yl]-1H-imidazole?
The InChIKey is OLLMIWQQRROBMO-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H29N5O/c1-2-5-20(4-1)28-31-17-26(34-28)23-12-11-21(22-13-15-35-27(22)23)18-7-9-19(10-8-18)25-16-32-29(33-25)24-6-3-14-30-24/h7-13,15-17,20,24,30H,1-6,14H2,(H,31,34)(H,32,33)/t24-/m0/s1.
What are the key properties of 2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-7-yl]-1H-imidazole?
2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-7-yl]-1H-imidazole has a molecular weight of 463.59 g/mol, XLogP of 6.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-benzofuran-7-yl]-1H-imidazole is sourced from PubChem (CID 58315892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).