2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline

C28H30N8 — CID 131967498

IUPAC2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline
SMILESC[C@H]1CN[C@H](c2ncc(-c3ccc4nc(-c5ccc6nc([C@@H]7C[C@@H](C)CN7)[nH]c6c5)cnc4c3)[nH]2)C1
InChIInChI=1S/C28H30N8/c1-15-7-23(29-11-15)27-32-14-26(36-27)17-3-5-19-21(9-17)31-13-25(33-19)18-4-6-20-22(10-18)35-28(34-20)24-8-16(2)12-30-24/h3-6,9-10,13-16,23-24,29-30H,7-8,11-12H2,1-2H3,(H,32,36)(H,34,35)/t15-,16-,23+,24+/m1/s1
InChIKeyQELAVBALJDLNNC-ICQFYHOOSA-N
MW478.60 g/mol
LogP4.90
Rot. Bonds4

About 2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline

2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline (PubChem CID 131967498) has the molecular formula C28H30N8 and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline.

Molecular Properties

Compound Name2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline
PubChem CID131967498
Molecular FormulaC28H30N8
Molecular Weight478.60 g/mol
Exact Mass478.26
IUPAC Name2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline
SMILESC[C@H]1CN[C@H](c2ncc(-c3ccc4nc(-c5ccc6nc([C@@H]7C[C@@H](C)CN7)[nH]c6c5)cnc4c3)[nH]2)C1
InChIInChI=1S/C28H30N8/c1-15-7-23(29-11-15)27-32-14-26(36-27)17-3-5-19-21(9-17)31-13-25(33-19)18-4-6-20-22(10-18)35-28(34-20)24-8-16(2)12-30-24/h3-6,9-10,13-16,23-24,29-30H,7-8,11-12H2,1-2H3,(H,32,36)(H,34,35)/t15-,16-,23+,24+/m1/s1
InChIKeyQELAVBALJDLNNC-ICQFYHOOSA-N
XLogP4.90
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline with MolForge

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Related Compounds

Mavorixafor
CID 11256587
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
SB-525334
CID 9967941
BN-81,644
CID 9802572
4(2'-Aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline
CID 9813758
Eapb-0203
CID 24779760
2-(5-Ethyl-2-pyridyl)benzimidazole
CID 49746
Methyl[2-({12-methyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl}amino)ethyl]amine
CID 9796523
2-pyridin-2-yl-1H-benzimidazole-6-carboximidamide
CID 10037159
2-Phenylimidazo[4,5-c]quinoline
CID 10824264
6-methyl-2-[1-({4-[3-phenyl-5-(1H-1,2,3,4-tetrazol-5-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-1,3-benzodiazole
CID 11168481
2-(4-methyl-1H-1,3-benzodiazol-2-yl)quinoxaline
CID 11521761

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline?
The IUPAC name of 2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline (CID 131967498) is 2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline.
What is the SMILES notation for 2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline?
The canonical SMILES for 2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline is C[C@H]1CN[C@H](c2ncc(-c3ccc4nc(-c5ccc6nc([C@@H]7C[C@@H](C)CN7)[nH]c6c5)cnc4c3)[nH]2)C1.
What is the InChIKey of 2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline?
The InChIKey is QELAVBALJDLNNC-ICQFYHOOSA-N. The full InChI is InChI=1S/C28H30N8/c1-15-7-23(29-11-15)27-32-14-26(36-27)17-3-5-19-21(9-17)31-13-25(33-19)18-4-6-20-22(10-18)35-28(34-20)24-8-16(2)12-30-24/h3-6,9-10,13-16,23-24,29-30H,7-8,11-12H2,1-2H3,(H,32,36)(H,34,35)/t15-,16-,23+,24+/m1/s1.
What are the key properties of 2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline?
2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline has a molecular weight of 478.60 g/mol, XLogP of 4.90, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline is sourced from PubChem (CID 131967498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).