2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide

C22H21ClN4O2 — CID 78831219

IUPAC2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)CCCC1
InChIInChI=1S/C22H21ClN4O2/c23-16-7-9-17(10-8-16)29-14-20-25-18-5-1-2-6-19(18)27(20)13-21(28)26-22(15-24)11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,26,28)
InChIKeyLGUUEFGSHKTMIK-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.22
Rot. Bonds6

About 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide

2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide (PubChem CID 78831219) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide
PubChem CID78831219
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)CCCC1
InChIInChI=1S/C22H21ClN4O2/c23-16-7-9-17(10-8-16)29-14-20-25-18-5-1-2-6-19(18)27(20)13-21(28)26-22(15-24)11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,26,28)
InChIKeyLGUUEFGSHKTMIK-UHFFFAOYSA-N
XLogP4.22
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide
CID 78857564
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(furan-3-ylmethyl)acetamide
CID 112843170
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 112759773
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 4234057
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17032167
2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide
CID 78773101
N'-[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]-2,3-dihydro-1,4-dioxine-5-carbohydrazide
CID 25440552
propan-2-yl 3-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]propanoate
CID 78839395
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 5184272
1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone
CID 119380723
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032004

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide (CID 78831219) is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide is N#CC1(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)CCCC1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is LGUUEFGSHKTMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-16-7-9-17(10-8-16)29-14-20-25-18-5-1-2-6-19(18)27(20)13-21(28)26-22(15-24)11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,26,28).
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide?
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 408.89 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 78831219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).