5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride

C22H23Cl2N5O — CID 22063817

IUPAC5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride
SMILESCl.Cn1c(=O)n(C2CCCC2)c2ccc(-c3[nH]c(N)nc3-c3cccc(Cl)c3)cc21
InChIInChI=1S/C22H22ClN5O.ClH/c1-27-18-12-14(9-10-17(18)28(22(27)29)16-7-2-3-8-16)20-19(25-21(24)26-20)13-5-4-6-15(23)11-13;/h4-6,9-12,16H,2-3,7-8H2,1H3,(H3,24,25,26);1H
InChIKeyPGPMWUOSBODZIG-UHFFFAOYSA-N
MW444.37 g/mol
LogP5.17
Rot. Bonds3

About 5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride

5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride (PubChem CID 22063817) has the molecular formula C22H23Cl2N5O and a molecular weight of 444.37 g/mol. Its IUPAC name is 5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride
PubChem CID22063817
Molecular FormulaC22H23Cl2N5O
Molecular Weight444.37 g/mol
Exact Mass443.13
IUPAC Name5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride
SMILESCl.Cn1c(=O)n(C2CCCC2)c2ccc(-c3[nH]c(N)nc3-c3cccc(Cl)c3)cc21
InChIInChI=1S/C22H22ClN5O.ClH/c1-27-18-12-14(9-10-17(18)28(22(27)29)16-7-2-3-8-16)20-19(25-21(24)26-20)13-5-4-6-15(23)11-13;/h4-6,9-12,16H,2-3,7-8H2,1H3,(H3,24,25,26);1H
InChIKeyPGPMWUOSBODZIG-UHFFFAOYSA-N
XLogP5.17
TPSA81.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.37
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride?
The IUPAC name of 5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride (CID 22063817) is 5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride is Cl.Cn1c(=O)n(C2CCCC2)c2ccc(-c3[nH]c(N)nc3-c3cccc(Cl)c3)cc21.
What is the InChIKey of 5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride?
The InChIKey is PGPMWUOSBODZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O.ClH/c1-27-18-12-14(9-10-17(18)28(22(27)29)16-7-2-3-8-16)20-19(25-21(24)26-20)13-5-4-6-15(23)11-13;/h4-6,9-12,16H,2-3,7-8H2,1H3,(H3,24,25,26);1H.
What are the key properties of 5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride?
5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride has a molecular weight of 444.37 g/mol, XLogP of 5.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-4-(3-chlorophenyl)-1H-imidazol-5-yl]-1-cyclopentyl-3-methylbenzimidazol-2-one;hydrochloride is sourced from PubChem (CID 22063817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).