5-[6-[4-[5-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-2-cyclopentyl-1H-imidazole

C32H31ClN4 — CID 58501732

IUPAC5-[6-[4-[5-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-2-cyclopentyl-1H-imidazole
SMILESClC1=C(c2ccc(-c3ccc4cc(-c5cnc(C6CCCC6)[nH]5)ccc4c3)cc2)CC([C@@H]2CCCN2)=N1
InChIInChI=1S/C32H31ClN4/c33-31-27(18-29(36-31)28-6-3-15-34-28)21-9-7-20(8-10-21)23-11-12-25-17-26(14-13-24(25)16-23)30-19-35-32(37-30)22-4-1-2-5-22/h7-14,16-17,19,22,28,34H,1-6,15,18H2,(H,35,37)/t28-/m0/s1
InChIKeyHMSOCDZQBSBZKK-NDEPHWFRSA-N
MW507.08 g/mol
LogP8.06
Rot. Bonds5

About 5-[6-[4-[5-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-2-cyclopentyl-1H-imidazole

5-[6-[4-[5-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-2-cyclopentyl-1H-imidazole (PubChem CID 58501732) has the molecular formula C32H31ClN4 and a molecular weight of 507.08 g/mol. Its IUPAC name is 5-[6-[4-[5-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-2-cyclopentyl-1H-imidazole.

Molecular Properties

Compound Name5-[6-[4-[5-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-2-cyclopentyl-1H-imidazole
PubChem CID58501732
Molecular FormulaC32H31ClN4
Molecular Weight507.08 g/mol
Exact Mass506.22
IUPAC Name5-[6-[4-[5-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-2-cyclopentyl-1H-imidazole
SMILESClC1=C(c2ccc(-c3ccc4cc(-c5cnc(C6CCCC6)[nH]5)ccc4c3)cc2)CC([C@@H]2CCCN2)=N1
InChIInChI=1S/C32H31ClN4/c33-31-27(18-29(36-31)28-6-3-15-34-28)21-9-7-20(8-10-21)23-11-12-25-17-26(14-13-24(25)16-23)30-19-35-32(37-30)22-4-1-2-5-22/h7-14,16-17,19,22,28,34H,1-6,15,18H2,(H,35,37)/t28-/m0/s1
InChIKeyHMSOCDZQBSBZKK-NDEPHWFRSA-N
XLogP8.06
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.08
LogP ≤ 58.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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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-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazole
CID 141284413
2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]azepane
CID 64570784
2-[(2S)-pyrrolidin-2-yl]-5-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-imidazole;2,2,2-trifluoroacetic acid
CID 172682436
7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole
CID 159258516
[2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]methanol
CID 58490822
2-pyrrolidin-2-yl-6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-quinolin-4-one
CID 123770326
2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole
CID 59450040
2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole
CID 77449174
2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane
CID 64570578
5-[7-(1H-imidazol-5-yl)thianthren-2-yl]-2-pyrrolidin-2-yl-1H-imidazole
CID 141292300
6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride
CID 57462088

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[5-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-2-cyclopentyl-1H-imidazole?
The IUPAC name of 5-[6-[4-[5-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-2-cyclopentyl-1H-imidazole (CID 58501732) is 5-[6-[4-[5-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-2-cyclopentyl-1H-imidazole.
What is the SMILES notation for 5-[6-[4-[5-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-2-cyclopentyl-1H-imidazole?
The canonical SMILES for 5-[6-[4-[5-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-2-cyclopentyl-1H-imidazole is ClC1=C(c2ccc(-c3ccc4cc(-c5cnc(C6CCCC6)[nH]5)ccc4c3)cc2)CC([C@@H]2CCCN2)=N1.
What is the InChIKey of 5-[6-[4-[5-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-2-cyclopentyl-1H-imidazole?
The InChIKey is HMSOCDZQBSBZKK-NDEPHWFRSA-N. The full InChI is InChI=1S/C32H31ClN4/c33-31-27(18-29(36-31)28-6-3-15-34-28)21-9-7-20(8-10-21)23-11-12-25-17-26(14-13-24(25)16-23)30-19-35-32(37-30)22-4-1-2-5-22/h7-14,16-17,19,22,28,34H,1-6,15,18H2,(H,35,37)/t28-/m0/s1.
What are the key properties of 5-[6-[4-[5-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-2-cyclopentyl-1H-imidazole?
5-[6-[4-[5-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-2-cyclopentyl-1H-imidazole has a molecular weight of 507.08 g/mol, XLogP of 8.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-[5-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-2-cyclopentyl-1H-imidazole is sourced from PubChem (CID 58501732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).