(4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone

C21H24N4O — CID 110765544

IUPAC(4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone
SMILESCCc1nc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2[nH]1
InChIInChI=1S/C21H24N4O/c1-2-20-22-18-9-8-17(14-19(18)23-20)21(26)25-12-10-24(11-13-25)15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3,(H,22,23)
InChIKeyNHPNEAVMYZTTOU-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.08
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone

(4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone (PubChem CID 110765544) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone
PubChem CID110765544
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone
SMILESCCc1nc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2[nH]1
InChIInChI=1S/C21H24N4O/c1-2-20-22-18-9-8-17(14-19(18)23-20)21(26)25-12-10-24(11-13-25)15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3,(H,22,23)
InChIKeyNHPNEAVMYZTTOU-UHFFFAOYSA-N
XLogP3.08
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110800078
methyl 4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 110803344
(4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone
CID 100580536
5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692320
(4-benzylpiperazin-1-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 110765233
[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110814520
(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
CID 23766923
2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole
CID 134084457
3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
CID 17446698
4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 110600792
[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone;oxalic acid
CID 71780606
(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 95967887

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone (CID 110765544) is (4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone is CCc1nc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2[nH]1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone?
The InChIKey is NHPNEAVMYZTTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-20-22-18-9-8-17(14-19(18)23-20)21(26)25-12-10-24(11-13-25)15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3,(H,22,23).
What are the key properties of (4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone?
(4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone has a molecular weight of 348.45 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 110765544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).