1H-benzimidazol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone

C21H24N4O3 — CID 71724954

IUPAC1H-benzimidazol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(OCCN2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C21H24N4O3/c1-27-16-6-8-17(9-7-16)28-15-14-24-10-12-25(13-11-24)21(26)20-22-18-4-2-3-5-19(18)23-20/h2-9H,10-15H2,1H3,(H,22,23)
InChIKeyRFZCXQYQFWVWHZ-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.41
Rot. Bonds6

About 1H-benzimidazol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone

1H-benzimidazol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone (PubChem CID 71724954) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
PubChem CID71724954
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1H-benzimidazol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(OCCN2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C21H24N4O3/c1-27-16-6-8-17(9-7-16)28-15-14-24-10-12-25(13-11-24)21(26)20-22-18-4-2-3-5-19(18)23-20/h2-9H,10-15H2,1H3,(H,22,23)
InChIKeyRFZCXQYQFWVWHZ-UHFFFAOYSA-N
XLogP2.41
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone (CID 71724954) is 1H-benzimidazol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone is COc1ccc(OCCN2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The InChIKey is RFZCXQYQFWVWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-16-6-8-17(9-7-16)28-15-14-24-10-12-25(13-11-24)21(26)20-22-18-4-2-3-5-19(18)23-20/h2-9H,10-15H2,1H3,(H,22,23).
What are the key properties of 1H-benzimidazol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
1H-benzimidazol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone has a molecular weight of 380.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 71724954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).