5-[[6-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid

C24H21ClN4O4 — CID 59267473

IUPAC5-[[6-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
SMILESCc1ccc(Oc2nc3cc(-c4ccc(N5CCOCC5)nc4)c(Cl)cc3[nH]2)cc1C(=O)O
InChIInChI=1S/C24H21ClN4O4/c1-14-2-4-16(10-17(14)23(30)31)33-24-27-20-11-18(19(25)12-21(20)28-24)15-3-5-22(26-13-15)29-6-8-32-9-7-29/h2-5,10-13H,6-9H2,1H3,(H,27,28)(H,30,31)
InChIKeyJCNVMPPESOJRNY-UHFFFAOYSA-N
MW464.91 g/mol
LogP4.91
Rot. Bonds5

About 5-[[6-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid

5-[[6-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid (PubChem CID 59267473) has the molecular formula C24H21ClN4O4 and a molecular weight of 464.91 g/mol. Its IUPAC name is 5-[[6-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[6-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
PubChem CID59267473
Molecular FormulaC24H21ClN4O4
Molecular Weight464.91 g/mol
Exact Mass464.13
IUPAC Name5-[[6-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
SMILESCc1ccc(Oc2nc3cc(-c4ccc(N5CCOCC5)nc4)c(Cl)cc3[nH]2)cc1C(=O)O
InChIInChI=1S/C24H21ClN4O4/c1-14-2-4-16(10-17(14)23(30)31)33-24-27-20-11-18(19(25)12-21(20)28-24)15-3-5-22(26-13-15)29-6-8-32-9-7-29/h2-5,10-13H,6-9H2,1H3,(H,27,28)(H,30,31)
InChIKeyJCNVMPPESOJRNY-UHFFFAOYSA-N
XLogP4.91
TPSA100.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid?
The IUPAC name of 5-[[6-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid (CID 59267473) is 5-[[6-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[6-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid?
The canonical SMILES for 5-[[6-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid is Cc1ccc(Oc2nc3cc(-c4ccc(N5CCOCC5)nc4)c(Cl)cc3[nH]2)cc1C(=O)O.
What is the InChIKey of 5-[[6-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid?
The InChIKey is JCNVMPPESOJRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4/c1-14-2-4-16(10-17(14)23(30)31)33-24-27-20-11-18(19(25)12-21(20)28-24)15-3-5-22(26-13-15)29-6-8-32-9-7-29/h2-5,10-13H,6-9H2,1H3,(H,27,28)(H,30,31).
What are the key properties of 5-[[6-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid?
5-[[6-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid has a molecular weight of 464.91 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid is sourced from PubChem (CID 59267473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).