5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide

C23H23N7O3 — CID 91532883

IUPAC5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccc(ON2CCCCC2)cc1)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C23H23N7O3/c31-21(26-15-8-10-16(11-9-15)33-30-12-4-1-5-13-30)19-20(25-14-24-19)22(32)29-23-27-17-6-2-3-7-18(17)28-23/h2-3,6-11,14H,1,4-5,12-13H2,(H,24,25)(H,26,31)(H2,27,28,29,32)
InChIKeyPGZSZJOFHYOUDQ-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.57
Rot. Bonds6

About 5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide

5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 91532883) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID91532883
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccc(ON2CCCCC2)cc1)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C23H23N7O3/c31-21(26-15-8-10-16(11-9-15)33-30-12-4-1-5-13-30)19-20(25-14-24-19)22(32)29-23-27-17-6-2-3-7-18(17)28-23/h2-3,6-11,14H,1,4-5,12-13H2,(H,24,25)(H,26,31)(H2,27,28,29,32)
InChIKeyPGZSZJOFHYOUDQ-UHFFFAOYSA-N
XLogP3.57
TPSA128.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24984917
5-N-(1H-benzimidazol-2-yl)-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24985261
5-N-(1H-benzimidazol-2-yl)-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole-4,5-dicarboxamide
CID 24984746
5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide
CID 24984741
5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24985602
tert-butyl 4-[4-[[5-(1H-benzimidazol-2-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-chlorophenoxy]piperidine-1-carboxylate
CID 59349487
4-[3-[4-[[5-(1H-benzimidazol-2-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-(trifluoromethyl)phenoxy]propyl]piperazine-1-carboxylic acid
CID 66623561
5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24984418
4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide
CID 24985262
2-[2-[[5-(1H-benzimidazol-2-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]phenyl]ethylcarbamic acid
CID 68600786
4-N-(2,4-dimethylphenyl)-5-N-(6-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
CID 24984419
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411

Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide (CID 91532883) is 5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide is O=C(Nc1ccc(ON2CCCCC2)cc1)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is PGZSZJOFHYOUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c31-21(26-15-8-10-16(11-9-15)33-30-12-4-1-5-13-30)19-20(25-14-24-19)22(32)29-23-27-17-6-2-3-7-18(17)28-23/h2-3,6-11,14H,1,4-5,12-13H2,(H,24,25)(H,26,31)(H2,27,28,29,32).
What are the key properties of 5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 445.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 91532883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).