2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole

C16H24N4 — CID 2985021

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
SMILESCCCn1c(CN2CCN(C)CC2)nc2ccccc21
InChIInChI=1S/C16H24N4/c1-3-8-20-15-7-5-4-6-14(15)17-16(20)13-19-11-9-18(2)10-12-19/h4-7H,3,8-13H2,1-2H3
InChIKeyWBBHBXGSBVCGPU-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.19
Rot. Bonds4

About 2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole

2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole (PubChem CID 2985021) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
PubChem CID2985021
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
SMILESCCCn1c(CN2CCN(C)CC2)nc2ccccc21
InChIInChI=1S/C16H24N4/c1-3-8-20-15-7-5-4-6-14(15)17-16(20)13-19-11-9-18(2)10-12-19/h4-7H,3,8-13H2,1-2H3
InChIKeyWBBHBXGSBVCGPU-UHFFFAOYSA-N
XLogP2.19
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole;hydrochloride
CID 171151742
2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176
1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 79753236
1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole
CID 54195084
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
3-(4-benzylpiperazin-1-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine
CID 112844244
4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 77096772
1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
CID 90040298
4-[6-[(1-propylbenzimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24913143
2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide
CID 20840474

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole (CID 2985021) is 2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole is CCCn1c(CN2CCN(C)CC2)nc2ccccc21.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole?
The InChIKey is WBBHBXGSBVCGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-8-20-15-7-5-4-6-14(15)17-16(20)13-19-11-9-18(2)10-12-19/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole?
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole has a molecular weight of 272.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole is sourced from PubChem (CID 2985021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).