4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid

C23H24N4O4 — CID 146627100

IUPAC4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
SMILESCN(C(=O)N1CCC(C(=O)c2ccc3c(c2)ncn3C)CC1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C23H24N4O4/c1-25-14-24-19-13-17(5-8-20(19)25)21(28)15-9-11-27(12-10-15)23(31)26(2)18-6-3-16(4-7-18)22(29)30/h3-8,13-15H,9-12H2,1-2H3,(H,29,30)
InChIKeyAKKXIUTVQKXJLJ-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.42
Rot. Bonds4

About 4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid

4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid (PubChem CID 146627100) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
PubChem CID146627100
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
SMILESCN(C(=O)N1CCC(C(=O)c2ccc3c(c2)ncn3C)CC1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C23H24N4O4/c1-25-14-24-19-13-17(5-8-20(19)25)21(28)15-9-11-27(12-10-15)23(31)26(2)18-6-3-16(4-7-18)22(29)30/h3-8,13-15H,9-12H2,1-2H3,(H,29,30)
InChIKeyAKKXIUTVQKXJLJ-UHFFFAOYSA-N
XLogP3.42
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid (CID 146627100) is 4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid is CN(C(=O)N1CCC(C(=O)c2ccc3c(c2)ncn3C)CC1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid?
The InChIKey is AKKXIUTVQKXJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-25-14-24-19-13-17(5-8-20(19)25)21(28)15-9-11-27(12-10-15)23(31)26(2)18-6-3-16(4-7-18)22(29)30/h3-8,13-15H,9-12H2,1-2H3,(H,29,30).
What are the key properties of 4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid?
4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid has a molecular weight of 420.47 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid is sourced from PubChem (CID 146627100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).