3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine

C20H14ClN5O — CID 122195770

IUPAC3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2nc3ncccn3c2-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C20H14ClN5O/c1-27-14-6-3-12(4-7-14)17-18(26-10-2-9-22-20(26)25-17)19-23-15-8-5-13(21)11-16(15)24-19/h2-11H,1H3,(H,23,24)
InChIKeyZOSKEZXVNJEKRN-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.60
Rot. Bonds3

About 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine

3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 122195770) has the molecular formula C20H14ClN5O and a molecular weight of 375.82 g/mol. Its IUPAC name is 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
PubChem CID122195770
Molecular FormulaC20H14ClN5O
Molecular Weight375.82 g/mol
Exact Mass375.09
IUPAC Name3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2nc3ncccn3c2-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C20H14ClN5O/c1-27-14-6-3-12(4-7-14)17-18(26-10-2-9-22-20(26)25-17)19-23-15-8-5-13(21)11-16(15)24-19/h2-11H,1H3,(H,23,24)
InChIKeyZOSKEZXVNJEKRN-UHFFFAOYSA-N
XLogP4.60
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine (CID 122195770) is 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine is COc1ccc(-c2nc3ncccn3c2-c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is ZOSKEZXVNJEKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O/c1-27-14-6-3-12(4-7-14)17-18(26-10-2-9-22-20(26)25-17)19-23-15-8-5-13(21)11-16(15)24-19/h2-11H,1H3,(H,23,24).
What are the key properties of 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 375.82 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122195770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).