4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole

C25H32N6 — CID 145424882

IUPAC4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole
SMILESCc1cccnc1C1CCCN1Cc1nc2c(N3CCN(C4CC4)CC3)cccc2[nH]1
InChIInChI=1S/C25H32N6/c1-18-5-3-11-26-24(18)21-8-4-12-31(21)17-23-27-20-6-2-7-22(25(20)28-23)30-15-13-29(14-16-30)19-9-10-19/h2-3,5-7,11,19,21H,4,8-10,12-17H2,1H3,(H,27,28)
InChIKeyVJYCYYUJSHFYOE-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.89
Rot. Bonds5

About 4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole

4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole (PubChem CID 145424882) has the molecular formula C25H32N6 and a molecular weight of 416.57 g/mol. Its IUPAC name is 4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole
PubChem CID145424882
Molecular FormulaC25H32N6
Molecular Weight416.57 g/mol
Exact Mass416.27
IUPAC Name4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole
SMILESCc1cccnc1C1CCCN1Cc1nc2c(N3CCN(C4CC4)CC3)cccc2[nH]1
InChIInChI=1S/C25H32N6/c1-18-5-3-11-26-24(18)21-8-4-12-31(21)17-23-27-20-6-2-7-22(25(20)28-23)30-15-13-29(14-16-30)19-9-10-19/h2-3,5-7,11,19,21H,4,8-10,12-17H2,1H3,(H,27,28)
InChIKeyVJYCYYUJSHFYOE-UHFFFAOYSA-N
XLogP3.89
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 145424904
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
CID 145424263
(4aR,10bR)-1-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
CID 68944303
2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
CID 145424849
7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole
CID 159475991
1-[1-bromo-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazol-4-yl]-4-methylpiperazine
CID 172743844
N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11545594
4-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
CID 145424480
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine
CID 11560480
2-[(2R,6S)-6-(3-ethyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-[4-(trideuteriomethyl)piperazin-1-yl]-1H-benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(trideuteriomethyl)piperidin-2-yl]-1H-benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-[3-(trideuteriomethyl)-2-pyridinyl]piperidin-2-yl]-1H-benzimidazole
CID 163669173
(8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11675794

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole (CID 145424882) is 4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole is Cc1cccnc1C1CCCN1Cc1nc2c(N3CCN(C4CC4)CC3)cccc2[nH]1.
What is the InChIKey of 4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is VJYCYYUJSHFYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6/c1-18-5-3-11-26-24(18)21-8-4-12-31(21)17-23-27-20-6-2-7-22(25(20)28-23)30-15-13-29(14-16-30)19-9-10-19/h2-3,5-7,11,19,21H,4,8-10,12-17H2,1H3,(H,27,28).
What are the key properties of 4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole?
4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 416.57 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 145424882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).