7-acetamido-1-(2-pyridin-2-ylethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-5-carboxamide

C27H27N5O2 — CID 42170866

About 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-5-carboxamide

7-acetamido-1-(2-pyridin-2-ylethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-5-carboxamide (PubChem CID 42170866) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-5-carboxamide
• PubChem CID: 42170866
• Molecular Formula: C27H27N5O2
• Molecular Weight: 453.55 g/mol
• Exact Mass: 453.22
• IUPAC Name: 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-5-carboxamide
• SMILES: CC(=O)Nc1cc(C(=O)N[C@@H]2CCCc3ccccc32)cc2ncn(CCc3ccccn3)c12
• InChI: InChI=1S/C27H27N5O2/c1-18(33)30-25-16-20(27(34)31-23-11-6-8-19-7-2-3-10-22(19)23)15-24-26(25)32(17-29-24)14-12-21-9-4-5-13-28-21/h2-5,7,9-10,13,15-17,23H,6,8,11-12,14H2,1H3,(H,30,33)(H,31,34)/t23-/m1/s1
• InChIKey: WPMWITBHYHFTHR-HSZRJFAPSA-N
• XLogP: 4.44
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.55
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-5-carboxamide?

The IUPAC name of 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-5-carboxamide (CID 42170866) is 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-5-carboxamide.

What is the SMILES notation for 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-5-carboxamide?

The canonical SMILES for 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-5-carboxamide is CC(=O)Nc1cc(C(=O)N[C@@H]2CCCc3ccccc32)cc2ncn(CCc3ccccn3)c12.

What is the InChIKey of 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-5-carboxamide?

The InChIKey is WPMWITBHYHFTHR-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-18(33)30-25-16-20(27(34)31-23-11-6-8-19-7-2-3-10-22(19)23)15-24-26(25)32(17-29-24)14-12-21-9-4-5-13-28-21/h2-5,7,9-10,13,15-17,23H,6,8,11-12,14H2,1H3,(H,30,33)(H,31,34)/t23-/m1/s1.

What are the key properties of 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-5-carboxamide?

7-acetamido-1-(2-pyridin-2-ylethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-5-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 42170866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).