N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxamide

C17H17ClN4O2 — CID 126835703

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxamide

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxamide (PubChem CID 126835703) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxamide
• PubChem CID: 126835703
• Molecular Formula: C17H17ClN4O2
• Molecular Weight: 344.80 g/mol
• Exact Mass: 344.10
• IUPAC Name: N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxamide
• SMILES: O=C1NC2(C(=O)NCc3nc4ccc(Cl)cc4[nH]3)CC3CC1C2C3
• InChI: InChI=1S/C17H17ClN4O2/c18-9-1-2-12-13(5-9)21-14(20-12)7-19-16(24)17-6-8-3-10(11(17)4-8)15(23)22-17/h1-2,5,8,10-11H,3-4,6-7H2,(H,19,24)(H,20,21)(H,22,23)
• InChIKey: GFCSPRBDAJOZNA-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.80
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxamide?

The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxamide (CID 126835703) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxamide.

What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxamide?

The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxamide is O=C1NC2(C(=O)NCc3nc4ccc(Cl)cc4[nH]3)CC3CC1C2C3.

What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxamide?

The InChIKey is GFCSPRBDAJOZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-9-1-2-12-13(5-9)21-14(20-12)7-19-16(24)17-6-8-3-10(11(17)4-8)15(23)22-17/h1-2,5,8,10-11H,3-4,6-7H2,(H,19,24)(H,20,21)(H,22,23).

What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxamide?

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 126835703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).