2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide

C23H24F2N4O2S — CID 138455687

About 2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide

2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 138455687) has the molecular formula C23H24F2N4O2S and a molecular weight of 458.53 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
• PubChem CID: 138455687
• Molecular Formula: C23H24F2N4O2S
• Molecular Weight: 458.53 g/mol
• Exact Mass: 458.16
• IUPAC Name: 2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
• SMILES: C[C@@H](NC(=O)C1CC1c1nc2ccccc2[nH]1)c1ccc(C(=O)N2CCC(F)(F)CC2)s1
• InChI: InChI=1S/C23H24F2N4O2S/c1-13(18-6-7-19(32-18)22(31)29-10-8-23(24,25)9-11-29)26-21(30)15-12-14(15)20-27-16-4-2-3-5-17(16)28-20/h2-7,13-15H,8-12H2,1H3,(H,26,30)(H,27,28)/t13-,14?,15?/m1/s1
• InChIKey: FPQFABRIVSGOID-WLYUNCDWSA-N
• XLogP: 4.48
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.53
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide?

The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide (CID 138455687) is 2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide?

The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide is C[C@@H](NC(=O)C1CC1c1nc2ccccc2[nH]1)c1ccc(C(=O)N2CCC(F)(F)CC2)s1.

What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide?

The InChIKey is FPQFABRIVSGOID-WLYUNCDWSA-N. The full InChI is InChI=1S/C23H24F2N4O2S/c1-13(18-6-7-19(32-18)22(31)29-10-8-23(24,25)9-11-29)26-21(30)15-12-14(15)20-27-16-4-2-3-5-17(16)28-20/h2-7,13-15H,8-12H2,1H3,(H,26,30)(H,27,28)/t13-,14?,15?/m1/s1.

What are the key properties of 2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide?

2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 138455687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).