4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide

C19H27N5O2 — CID 110813172

IUPAC4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)Cc2ccc3c(c2)nc(C)n3C)CC1
InChIInChI=1S/C19H27N5O2/c1-4-7-20-19(26)24-10-8-23(9-11-24)18(25)13-15-5-6-17-16(12-15)21-14(2)22(17)3/h5-6,12H,4,7-11,13H2,1-3H3,(H,20,26)
InChIKeyRKUZTRDWKOQBGI-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.69
Rot. Bonds4

About 4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide

4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide (PubChem CID 110813172) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide
PubChem CID110813172
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)Cc2ccc3c(c2)nc(C)n3C)CC1
InChIInChI=1S/C19H27N5O2/c1-4-7-20-19(26)24-10-8-23(9-11-24)18(25)13-15-5-6-17-16(12-15)21-14(2)22(17)3/h5-6,12H,4,7-11,13H2,1-3H3,(H,20,26)
InChIKeyRKUZTRDWKOQBGI-UHFFFAOYSA-N
XLogP1.69
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide (CID 110813172) is 4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)Cc2ccc3c(c2)nc(C)n3C)CC1.
What is the InChIKey of 4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is RKUZTRDWKOQBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-4-7-20-19(26)24-10-8-23(9-11-24)18(25)13-15-5-6-17-16(12-15)21-14(2)22(17)3/h5-6,12H,4,7-11,13H2,1-3H3,(H,20,26).
What are the key properties of 4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide?
4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110813172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).