2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide

C22H31N5O2 — CID 175826630

IUPAC2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide
SMILESCC(=O)N1CCN(c2nc3ccccc3n2C(=O)NCC2(CC(C)C)CC2)CC1
InChIInChI=1S/C22H31N5O2/c1-16(2)14-22(8-9-22)15-23-21(29)27-19-7-5-4-6-18(19)24-20(27)26-12-10-25(11-13-26)17(3)28/h4-7,16H,8-15H2,1-3H3,(H,23,29)
InChIKeyIPIPEZUBNMNAAL-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.09
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide

2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide (PubChem CID 175826630) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide
PubChem CID175826630
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide
SMILESCC(=O)N1CCN(c2nc3ccccc3n2C(=O)NCC2(CC(C)C)CC2)CC1
InChIInChI=1S/C22H31N5O2/c1-16(2)14-22(8-9-22)15-23-21(29)27-19-7-5-4-6-18(19)24-20(27)26-12-10-25(11-13-26)17(3)28/h4-7,16H,8-15H2,1-3H3,(H,23,29)
InChIKeyIPIPEZUBNMNAAL-UHFFFAOYSA-N
XLogP3.09
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide with MolForge

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[3-[1-(trifluoromethyl)cyclopropyl]propyl]benzimidazole-1-carboxamide
CID 175826573
2-[4-(1-methylazetidin-3-yl)piperazin-1-yl]-N-(3-phenylprop-2-ynyl)benzimidazole-1-carboxamide
CID 175826567
N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 651770
N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 44754338
2-chloro-1-[2-(4-methylpiperidin-1-yl)benzimidazol-1-yl]ethanone
CID 66489703
4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 46375439
2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 46375593
[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 3545151
N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375427
ethyl (3S)-3-[[4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 92879177
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
4-(1-ethylbenzimidazol-2-yl)-N-methylpiperazine-1-carbothioamide
CID 1462205

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide (CID 175826630) is 2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide is CC(=O)N1CCN(c2nc3ccccc3n2C(=O)NCC2(CC(C)C)CC2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide?
The InChIKey is IPIPEZUBNMNAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-16(2)14-22(8-9-22)15-23-21(29)27-19-7-5-4-6-18(19)24-20(27)26-12-10-25(11-13-26)17(3)28/h4-7,16H,8-15H2,1-3H3,(H,23,29).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide?
2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzimidazole-1-carboxamide is sourced from PubChem (CID 175826630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).