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

C30H29ClN6 — CID 66981990

IUPAC5-chloro-2-[(2S)-pyrrolidin-2-yl]-4-[4-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole
SMILESClc1[nH]c([C@@H]2CCCN2)nc1-c1ccc(-c2ccc3cc(-c4cnc([C@@H]5CCCN5)[nH]4)ccc3c2)cc1
InChIInChI=1S/C30H29ClN6/c31-28-27(36-30(37-28)25-4-2-14-33-25)19-7-5-18(6-8-19)20-9-10-22-16-23(12-11-21(22)15-20)26-17-34-29(35-26)24-3-1-13-32-24/h5-12,15-17,24-25,32-33H,1-4,13-14H2,(H,34,35)(H,36,37)/t24-,25-/m0/s1
InChIKeyRSVYZAQVJYGOLG-DQEYMECFSA-N
MW509.06 g/mol
LogP6.79
Rot. Bonds5

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

5-chloro-2-[(2S)-pyrrolidin-2-yl]-4-[4-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole (PubChem CID 66981990) has the molecular formula C30H29ClN6 and a molecular weight of 509.06 g/mol. Its IUPAC name is 5-chloro-2-[(2S)-pyrrolidin-2-yl]-4-[4-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-chloro-2-[(2S)-pyrrolidin-2-yl]-4-[4-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole
PubChem CID66981990
Molecular FormulaC30H29ClN6
Molecular Weight509.06 g/mol
Exact Mass508.21
IUPAC Name5-chloro-2-[(2S)-pyrrolidin-2-yl]-4-[4-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole
SMILESClc1[nH]c([C@@H]2CCCN2)nc1-c1ccc(-c2ccc3cc(-c4cnc([C@@H]5CCCN5)[nH]4)ccc3c2)cc1
InChIInChI=1S/C30H29ClN6/c31-28-27(36-30(37-28)25-4-2-14-33-25)19-7-5-18(6-8-19)20-9-10-22-16-23(12-11-21(22)15-20)26-17-34-29(35-26)24-3-1-13-32-24/h5-12,15-17,24-25,32-33H,1-4,13-14H2,(H,34,35)(H,36,37)/t24-,25-/m0/s1
InChIKeyRSVYZAQVJYGOLG-DQEYMECFSA-N
XLogP6.79
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.06
LogP ≤ 56.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2S)-pyrrolidin-2-yl]-4-[4-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole?
The IUPAC name of 5-chloro-2-[(2S)-pyrrolidin-2-yl]-4-[4-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole (CID 66981990) is 5-chloro-2-[(2S)-pyrrolidin-2-yl]-4-[4-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole.
What is the SMILES notation for 5-chloro-2-[(2S)-pyrrolidin-2-yl]-4-[4-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole?
The canonical SMILES for 5-chloro-2-[(2S)-pyrrolidin-2-yl]-4-[4-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole is Clc1[nH]c([C@@H]2CCCN2)nc1-c1ccc(-c2ccc3cc(-c4cnc([C@@H]5CCCN5)[nH]4)ccc3c2)cc1.
What is the InChIKey of 5-chloro-2-[(2S)-pyrrolidin-2-yl]-4-[4-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole?
The InChIKey is RSVYZAQVJYGOLG-DQEYMECFSA-N. The full InChI is InChI=1S/C30H29ClN6/c31-28-27(36-30(37-28)25-4-2-14-33-25)19-7-5-18(6-8-19)20-9-10-22-16-23(12-11-21(22)15-20)26-17-34-29(35-26)24-3-1-13-32-24/h5-12,15-17,24-25,32-33H,1-4,13-14H2,(H,34,35)(H,36,37)/t24-,25-/m0/s1.
What are the key properties of 5-chloro-2-[(2S)-pyrrolidin-2-yl]-4-[4-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole?
5-chloro-2-[(2S)-pyrrolidin-2-yl]-4-[4-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole has a molecular weight of 509.06 g/mol, XLogP of 6.79, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2S)-pyrrolidin-2-yl]-4-[4-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole is sourced from PubChem (CID 66981990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).