[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-3-piperidin-4-yl-2-pyridinyl]carbamic acid

C29H34N6O3 — CID 69292266

About [4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-3-piperidin-4-yl-2-pyridinyl]carbamic acid

[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-3-piperidin-4-yl-2-pyridinyl]carbamic acid (PubChem CID 69292266) has the molecular formula C29H34N6O3 and a molecular weight of 514.63 g/mol. Its IUPAC name is [4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-3-piperidin-4-yl-2-pyridinyl]carbamic acid.

Molecular Properties

• Compound Name: [4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-3-piperidin-4-yl-2-pyridinyl]carbamic acid
• PubChem CID: 69292266
• Molecular Formula: C29H34N6O3
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.27
• IUPAC Name: [4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-3-piperidin-4-yl-2-pyridinyl]carbamic acid
• SMILES: Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(NC(=O)O)c3C3CCNCC3)ccc21
• InChI: InChI=1S/C29H34N6O3/c1-29(2,3)19-6-5-7-20(16-19)32-27-33-22-17-21(8-9-23(22)35(27)4)38-24-12-15-31-26(34-28(36)37)25(24)18-10-13-30-14-11-18/h5-9,12,15-18,30H,10-11,13-14H2,1-4H3,(H,31,34)(H,32,33)(H,36,37)
• InChIKey: UHHCNANBSVXSKB-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 113.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-3-piperidin-4-yl-2-pyridinyl]carbamic acid?

The IUPAC name of [4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-3-piperidin-4-yl-2-pyridinyl]carbamic acid (CID 69292266) is [4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-3-piperidin-4-yl-2-pyridinyl]carbamic acid.

What is the SMILES notation for [4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-3-piperidin-4-yl-2-pyridinyl]carbamic acid?

The canonical SMILES for [4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-3-piperidin-4-yl-2-pyridinyl]carbamic acid is Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(NC(=O)O)c3C3CCNCC3)ccc21.

What is the InChIKey of [4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-3-piperidin-4-yl-2-pyridinyl]carbamic acid?

The InChIKey is UHHCNANBSVXSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O3/c1-29(2,3)19-6-5-7-20(16-19)32-27-33-22-17-21(8-9-23(22)35(27)4)38-24-12-15-31-26(34-28(36)37)25(24)18-10-13-30-14-11-18/h5-9,12,15-18,30H,10-11,13-14H2,1-4H3,(H,31,34)(H,32,33)(H,36,37).

What are the key properties of [4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-3-piperidin-4-yl-2-pyridinyl]carbamic acid?

[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-3-piperidin-4-yl-2-pyridinyl]carbamic acid has a molecular weight of 514.63 g/mol, XLogP of 6.36, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-3-piperidin-4-yl-2-pyridinyl]carbamic acid is sourced from PubChem (CID 69292266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).