2-(5-chloro-2-methoxyanilino)-N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]acetamide

C22H25ClN4O3 — CID 71464717

IUPAC2-(5-chloro-2-methoxyanilino)-N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]acetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)NC1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H25ClN4O3/c1-30-20-11-6-14(23)12-18(20)24-13-21(28)25-15-7-9-16(10-8-15)27-19-5-3-2-4-17(19)26-22(27)29/h2-6,11-12,15-16,24H,7-10,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyACLPRRFIFVCSJV-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.70
Rot. Bonds6

About 2-(5-chloro-2-methoxyanilino)-N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]acetamide

2-(5-chloro-2-methoxyanilino)-N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]acetamide (PubChem CID 71464717) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]acetamide
PubChem CID71464717
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]acetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)NC1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H25ClN4O3/c1-30-20-11-6-14(23)12-18(20)24-13-21(28)25-15-7-9-16(10-8-15)27-19-5-3-2-4-17(19)26-22(27)29/h2-6,11-12,15-16,24H,7-10,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyACLPRRFIFVCSJV-UHFFFAOYSA-N
XLogP3.70
TPSA88.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]acetamide (CID 71464717) is 2-(5-chloro-2-methoxyanilino)-N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]acetamide is COc1ccc(Cl)cc1NCC(=O)NC1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]acetamide?
The InChIKey is ACLPRRFIFVCSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-30-20-11-6-14(23)12-18(20)24-13-21(28)25-15-7-9-16(10-8-15)27-19-5-3-2-4-17(19)26-22(27)29/h2-6,11-12,15-16,24H,7-10,13H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]acetamide?
2-(5-chloro-2-methoxyanilino)-N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]acetamide has a molecular weight of 428.92 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-[4-(2-oxo-3H-benzimidazol-1-yl)cyclohexyl]acetamide is sourced from PubChem (CID 71464717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).