propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate

C20H20ClN3O3 — CID 17009130

IUPACpropan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate
SMILESCC(C)OC(=O)Cn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C20H20ClN3O3/c1-13(2)27-19(25)12-24-17-6-4-3-5-16(17)23-18(24)11-22-20(26)14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,26)
InChIKeyQUOLOLRCBILCOO-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.57
Rot. Bonds6

About propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate

propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate (PubChem CID 17009130) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate
PubChem CID17009130
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Namepropan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate
SMILESCC(C)OC(=O)Cn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C20H20ClN3O3/c1-13(2)27-19(25)12-24-17-6-4-3-5-16(17)23-18(24)11-22-20(26)14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,26)
InChIKeyQUOLOLRCBILCOO-UHFFFAOYSA-N
XLogP3.57
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[2-[2-[(4-chlorobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16977270
4-chloro-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029540
propan-2-yl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008515
propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate
CID 16964057
4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009109
N-[[1-[2-(butan-2-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029539
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029537
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17009016
propan-2-yl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 16995330
N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029321
propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate
CID 63637880

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate (CID 17009130) is propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate is CC(C)OC(=O)Cn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate?
The InChIKey is QUOLOLRCBILCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-13(2)27-19(25)12-24-17-6-4-3-5-16(17)23-18(24)11-22-20(26)14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,26).
What are the key properties of propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate?
propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate has a molecular weight of 385.85 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 17009130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).