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

C22H25ClN4O2 — CID 21429000

IUPACN-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCN2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)cc1
InChIInChI=1S/C22H25ClN4O2/c1-15-2-4-16(5-3-15)21(28)24-10-13-26-11-8-18(9-12-26)27-20-7-6-17(23)14-19(20)25-22(27)29/h2-7,14,18H,8-13H2,1H3,(H,24,28)(H,25,29)
InChIKeyIISXBFMJBUQZEA-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.36
Rot. Bonds5

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

N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-methylbenzamide (PubChem CID 21429000) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-methylbenzamide
PubChem CID21429000
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC NameN-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCN2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)cc1
InChIInChI=1S/C22H25ClN4O2/c1-15-2-4-16(5-3-15)21(28)24-10-13-26-11-8-18(9-12-26)27-20-7-6-17(23)14-19(20)25-22(27)29/h2-7,14,18H,8-13H2,1H3,(H,24,28)(H,25,29)
InChIKeyIISXBFMJBUQZEA-UHFFFAOYSA-N
XLogP3.36
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-methylbenzamide (CID 21429000) is N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCN2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)cc1.
What is the InChIKey of N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-methylbenzamide?
The InChIKey is IISXBFMJBUQZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-15-2-4-16(5-3-15)21(28)24-10-13-26-11-8-18(9-12-26)27-20-7-6-17(23)14-19(20)25-22(27)29/h2-7,14,18H,8-13H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-methylbenzamide?
N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-methylbenzamide has a molecular weight of 412.92 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-methylbenzamide is sourced from PubChem (CID 21429000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).