4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide

C31H36N4O2 — CID 142169522

About 4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide

4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide (PubChem CID 142169522) has the molecular formula C31H36N4O2 and a molecular weight of 496.66 g/mol. Its IUPAC name is 4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide.

Molecular Properties

• Compound Name: 4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide
• PubChem CID: 142169522
• Molecular Formula: C31H36N4O2
• Molecular Weight: 496.66 g/mol
• Exact Mass: 496.28
• IUPAC Name: 4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide
• SMILES: CC1(NC(=O)c2ccc(-c3nc4ccc(NC(=O)C5CCCC5)cc4[nH]3)cc2)C[C@@H]2CC3[C@H](C2)C[C@H]3C1
• InChI: InChI=1S/C31H36N4O2/c1-31(16-18-12-22-14-23(17-31)25(22)13-18)35-30(37)21-8-6-19(7-9-21)28-33-26-11-10-24(15-27(26)34-28)32-29(36)20-4-2-3-5-20/h6-11,15,18,20,22-23,25H,2-5,12-14,16-17H2,1H3,(H,32,36)(H,33,34)(H,35,37)/t18-,22+,23-,25?,31?/m0/s1
• InChIKey: IFTANVWIWWYKFP-OVQROXJZSA-N
• XLogP: 6.30
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.66
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide?

The IUPAC name of 4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide (CID 142169522) is 4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide.

What is the SMILES notation for 4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide?

The canonical SMILES for 4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide is CC1(NC(=O)c2ccc(-c3nc4ccc(NC(=O)C5CCCC5)cc4[nH]3)cc2)C[C@@H]2CC3[C@H](C2)C[C@H]3C1.

What is the InChIKey of 4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide?

The InChIKey is IFTANVWIWWYKFP-OVQROXJZSA-N. The full InChI is InChI=1S/C31H36N4O2/c1-31(16-18-12-22-14-23(17-31)25(22)13-18)35-30(37)21-8-6-19(7-9-21)28-33-26-11-10-24(15-27(26)34-28)32-29(36)20-4-2-3-5-20/h6-11,15,18,20,22-23,25H,2-5,12-14,16-17H2,1H3,(H,32,36)(H,33,34)(H,35,37)/t18-,22+,23-,25?,31?/m0/s1.

What are the key properties of 4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide?

4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide has a molecular weight of 496.66 g/mol, XLogP of 6.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]-N-[(1R,3S,7S)-5-methyl-5-tricyclo[5.2.1.03,9]decanyl]benzamide is sourced from PubChem (CID 142169522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).