2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

C21H22Cl2N4O2 — CID 25105712

IUPAC2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccccc1Cl
InChIInChI=1S/C21H22Cl2N4O2/c22-14-5-6-19-18(13-14)25-21(29)27(19)15-7-10-26(11-8-15)12-9-24-20(28)16-3-1-2-4-17(16)23/h1-6,13,15H,7-12H2,(H,24,28)(H,25,29)
InChIKeyLCMNFAJWKRBLFW-UHFFFAOYSA-N
MW433.34 g/mol
LogP3.70
Rot. Bonds5

About 2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 25105712) has the molecular formula C21H22Cl2N4O2 and a molecular weight of 433.34 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
PubChem CID25105712
Molecular FormulaC21H22Cl2N4O2
Molecular Weight433.34 g/mol
Exact Mass432.11
IUPAC Name2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccccc1Cl
InChIInChI=1S/C21H22Cl2N4O2/c22-14-5-6-19-18(13-14)25-21(29)27(19)15-7-10-26(11-8-15)12-9-24-20(28)16-3-1-2-4-17(16)23/h1-6,13,15H,7-12H2,(H,24,28)(H,25,29)
InChIKeyLCMNFAJWKRBLFW-UHFFFAOYSA-N
XLogP3.70
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (CID 25105712) is 2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is LCMNFAJWKRBLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O2/c22-14-5-6-19-18(13-14)25-21(29)27(19)15-7-10-26(11-8-15)12-9-24-20(28)16-3-1-2-4-17(16)23/h1-6,13,15H,7-12H2,(H,24,28)(H,25,29).
What are the key properties of 2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 433.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 25105712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).