N-[7-chloro-6-cyclopropyloxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide;bis(N-[7-chloro-6-[(3S)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide);bis(N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide)

C164H181Cl6N27O23 — CID 157347939

About N-[7-chloro-6-cyclopropyloxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide;bis(N-[7-chloro-6-[(3S)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide);bis(N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide)

N-[7-chloro-6-cyclopropyloxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide;bis(N-[7-chloro-6-[(3S)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide);bis(N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide) (PubChem CID 157347939) has the molecular formula C164H181Cl6N27O23 and a molecular weight of 3111.14 g/mol. Its IUPAC name is N-[7-chloro-6-cyclopropyloxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide;bis(N-[7-chloro-6-[(3S)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide);bis(N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide).

Molecular Properties

• Compound Name: N-[7-chloro-6-cyclopropyloxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide;bis(N-[7-chloro-6-[(3S)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide);bis(N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide)
• PubChem CID: 157347939
• Molecular Formula: C164H181Cl6N27O23
• Molecular Weight: 3111.14 g/mol
• Exact Mass: 3106.20
• IUPAC Name: N-[7-chloro-6-cyclopropyloxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide;bis(N-[7-chloro-6-[(3S)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide);bis(N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide)
• SMILES: C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3ccc(O[C@@H]4CCOC4)c(Cl)c32)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3ccc(O[C@H]4CCOC4)c(Cl)c32)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3ccc(O[C@H]4CCOC4)c(Cl)c32)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc(OC4CC4)c(Cl)c32)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc(O[C@@H]4CCOC4)c(Cl)c32)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc(O[C@@H]4CCOC4)c(Cl)c32)C1
• InChI: InChI=1S/3C28H31ClN4O4.2C27H30ClN5O4.C26H28ClN5O3/c3*1-3-24(34)32-13-5-4-9-20(16-32)33-26-22(10-11-23(25(26)29)37-21-12-14-36-17-21)30-28(33)31-27(35)19-8-6-7-18(2)15-19;2*1-3-23(34)32-12-5-4-6-19(15-32)33-25-21(7-8-22(24(25)28)37-20-10-13-36-16-20)30-27(33)31-26(35)18-9-11-29-17(2)14-18;1-3-22(33)31-13-5-4-6-18(15-31)32-24-20(9-10-21(23(24)27)35-19-7-8-19)29-26(32)30-25(34)17-11-12-28-16(2)14-17/h3*3,6-8,10-11,15,20-21H,1,4-5,9,12-14,16-17H2,2H3,(H,30,31,35);2*3,7-9,11,14,19-20H,1,4-6,10,12-13,15-16H2,2H3,(H,30,31,35);3,9-12,14,18-19H,1,4-8,13,15H2,2H3,(H,29,30,34)/t2*20-,21+;20-,21-;2*19-,20-;18-/m111111/s1
• InChIKey: BHEQROZJWULTDK-NIHSAQJUSA-N
• XLogP: 29.50
• TPSA: 543.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 36
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3111.14
LogP ≤ 5	29.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-chloro-6-cyclopropyloxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide;bis(N-[7-chloro-6-[(3S)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide);bis(N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide)?

The IUPAC name of N-[7-chloro-6-cyclopropyloxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide;bis(N-[7-chloro-6-[(3S)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide);bis(N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide) (CID 157347939) is N-[7-chloro-6-cyclopropyloxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide;bis(N-[7-chloro-6-[(3S)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide);bis(N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide).

What is the SMILES notation for N-[7-chloro-6-cyclopropyloxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide;bis(N-[7-chloro-6-[(3S)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide);bis(N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide)?

The canonical SMILES for N-[7-chloro-6-cyclopropyloxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide;bis(N-[7-chloro-6-[(3S)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide);bis(N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide) is C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3ccc(O[C@@H]4CCOC4)c(Cl)c32)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3ccc(O[C@H]4CCOC4)c(Cl)c32)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3cccc(C)c3)nc3ccc(O[C@H]4CCOC4)c(Cl)c32)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc(OC4CC4)c(Cl)c32)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc(O[C@@H]4CCOC4)c(Cl)c32)C1.C=CC(=O)N1CCCC[C@@H](n2c(NC(=O)c3ccnc(C)c3)nc3ccc(O[C@@H]4CCOC4)c(Cl)c32)C1.

What is the InChIKey of N-[7-chloro-6-cyclopropyloxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide;bis(N-[7-chloro-6-[(3S)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide);bis(N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide)?

The InChIKey is BHEQROZJWULTDK-NIHSAQJUSA-N. The full InChI is InChI=1S/3C28H31ClN4O4.2C27H30ClN5O4.C26H28ClN5O3/c3*1-3-24(34)32-13-5-4-9-20(16-32)33-26-22(10-11-23(25(26)29)37-21-12-14-36-17-21)30-28(33)31-27(35)19-8-6-7-18(2)15-19;2*1-3-23(34)32-12-5-4-6-19(15-32)33-25-21(7-8-22(24(25)28)37-20-10-13-36-16-20)30-27(33)31-26(35)18-9-11-29-17(2)14-18;1-3-22(33)31-13-5-4-6-18(15-31)32-24-20(9-10-21(23(24)27)35-19-7-8-19)29-26(32)30-25(34)17-11-12-28-16(2)14-17/h3*3,6-8,10-11,15,20-21H,1,4-5,9,12-14,16-17H2,2H3,(H,30,31,35);2*3,7-9,11,14,19-20H,1,4-6,10,12-13,15-16H2,2H3,(H,30,31,35);3,9-12,14,18-19H,1,4-8,13,15H2,2H3,(H,29,30,34)/t2*20-,21+;20-,21-;2*19-,20-;18-/m111111/s1.

What are the key properties of N-[7-chloro-6-cyclopropyloxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide;bis(N-[7-chloro-6-[(3S)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide);bis(N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide)?

N-[7-chloro-6-cyclopropyloxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide;bis(N-[7-chloro-6-[(3S)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide);bis(N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide) has a molecular weight of 3111.14 g/mol, XLogP of 29.50, 36 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-chloro-6-cyclopropyloxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide;bis(N-[7-chloro-6-[(3S)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-methylbenzamide);bis(N-[7-chloro-6-[(3R)-oxolan-3-yl]oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide) is sourced from PubChem (CID 157347939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).