8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline

C23H24N4 — CID 11382727

IUPAC8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline
SMILESC[C@@H]1CCCN1CCc1nc2ccc(-c3cccc4cccnc34)cc2[nH]1
InChIInChI=1S/C23H24N4/c1-16-5-4-13-27(16)14-11-22-25-20-10-9-18(15-21(20)26-22)19-8-2-6-17-7-3-12-24-23(17)19/h2-3,6-10,12,15-16H,4-5,11,13-14H2,1H3,(H,25,26)/t16-/m1/s1
InChIKeyWVVQZPZOFCFVQU-MRXNPFEDSA-N
MW356.47 g/mol
LogP4.80
Rot. Bonds4

About 8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline

8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline (PubChem CID 11382727) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline.

Molecular Properties

Compound Name8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline
PubChem CID11382727
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline
SMILESC[C@@H]1CCCN1CCc1nc2ccc(-c3cccc4cccnc34)cc2[nH]1
InChIInChI=1S/C23H24N4/c1-16-5-4-13-27(16)14-11-22-25-20-10-9-18(15-21(20)26-22)19-8-2-6-17-7-3-12-24-23(17)19/h2-3,6-10,12,15-16H,4-5,11,13-14H2,1H3,(H,25,26)/t16-/m1/s1
InChIKeyWVVQZPZOFCFVQU-MRXNPFEDSA-N
XLogP4.80
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline?
The IUPAC name of 8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline (CID 11382727) is 8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline.
What is the SMILES notation for 8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline?
The canonical SMILES for 8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline is C[C@@H]1CCCN1CCc1nc2ccc(-c3cccc4cccnc34)cc2[nH]1.
What is the InChIKey of 8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline?
The InChIKey is WVVQZPZOFCFVQU-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N4/c1-16-5-4-13-27(16)14-11-22-25-20-10-9-18(15-21(20)26-22)19-8-2-6-17-7-3-12-24-23(17)19/h2-3,6-10,12,15-16H,4-5,11,13-14H2,1H3,(H,25,26)/t16-/m1/s1.
What are the key properties of 8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline?
8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline has a molecular weight of 356.47 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline is sourced from PubChem (CID 11382727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).