3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide

C21H20Cl2N4O — CID 99809255

About 3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide

3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 99809255) has the molecular formula C21H20Cl2N4O and a molecular weight of 415.32 g/mol. Its IUPAC name is 3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
• PubChem CID: 99809255
• Molecular Formula: C21H20Cl2N4O
• Molecular Weight: 415.32 g/mol
• Exact Mass: 414.10
• IUPAC Name: 3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
• SMILES: CC(C)n1c([C@@H](C)NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)nc2ccccc21
• InChI: InChI=1S/C21H20Cl2N4O/c1-11(2)27-17-7-5-4-6-16(17)26-20(27)12(3)24-21(28)19-18(23)14-10-13(22)8-9-15(14)25-19/h4-12,25H,1-3H3,(H,24,28)/t12-/m1/s1
• InChIKey: UFFVHBFSTVACDQ-GFCCVEGCSA-N
• XLogP: 5.90
• TPSA: 62.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.32
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide?

The IUPAC name of 3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide (CID 99809255) is 3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide.

What is the SMILES notation for 3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide?

The canonical SMILES for 3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide is CC(C)n1c([C@@H](C)NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)nc2ccccc21.

What is the InChIKey of 3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide?

The InChIKey is UFFVHBFSTVACDQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H20Cl2N4O/c1-11(2)27-17-7-5-4-6-16(17)26-20(27)12(3)24-21(28)19-18(23)14-10-13(22)8-9-15(14)25-19/h4-12,25H,1-3H3,(H,24,28)/t12-/m1/s1.

What are the key properties of 3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide?

3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 415.32 g/mol, XLogP of 5.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 99809255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).