N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide

C23H25Cl2FN4O — CID 57390952

IUPACN-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide
SMILESC[C@H](NC(=O)CCN1CCC(c2cccc(F)c2)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C23H25Cl2FN4O/c1-14(23-28-20-12-18(24)19(25)13-21(20)29-23)27-22(31)7-10-30-8-5-15(6-9-30)16-3-2-4-17(26)11-16/h2-4,11-15H,5-10H2,1H3,(H,27,31)(H,28,29)/t14-/m0/s1
InChIKeyMGIAOCUMEQJCPZ-AWEZNQCLSA-N
MW463.38 g/mol
LogP5.46
Rot. Bonds6

About N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide

N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide (PubChem CID 57390952) has the molecular formula C23H25Cl2FN4O and a molecular weight of 463.38 g/mol. Its IUPAC name is N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide
PubChem CID57390952
Molecular FormulaC23H25Cl2FN4O
Molecular Weight463.38 g/mol
Exact Mass462.14
IUPAC NameN-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide
SMILESC[C@H](NC(=O)CCN1CCC(c2cccc(F)c2)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C23H25Cl2FN4O/c1-14(23-28-20-12-18(24)19(25)13-21(20)29-23)27-22(31)7-10-30-8-5-15(6-9-30)16-3-2-4-17(26)11-16/h2-4,11-15H,5-10H2,1H3,(H,27,31)(H,28,29)/t14-/m0/s1
InChIKeyMGIAOCUMEQJCPZ-AWEZNQCLSA-N
XLogP5.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide?
The IUPAC name of N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide (CID 57390952) is N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide is C[C@H](NC(=O)CCN1CCC(c2cccc(F)c2)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide?
The InChIKey is MGIAOCUMEQJCPZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H25Cl2FN4O/c1-14(23-28-20-12-18(24)19(25)13-21(20)29-23)27-22(31)7-10-30-8-5-15(6-9-30)16-3-2-4-17(26)11-16/h2-4,11-15H,5-10H2,1H3,(H,27,31)(H,28,29)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide?
N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide has a molecular weight of 463.38 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-3-[4-(3-fluorophenyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 57390952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).