3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine

C16H25N5 — CID 82167740

IUPAC3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine
SMILESCCn1c(N2CCN(CCCN)CC2)nc2ccccc21
InChIInChI=1S/C16H25N5/c1-2-21-15-7-4-3-6-14(15)18-16(21)20-12-10-19(11-13-20)9-5-8-17/h3-4,6-7H,2,5,8-13,17H2,1H3
InChIKeyOYHRBYCAFYQOMG-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.53
Rot. Bonds5

About 3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine

3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine (PubChem CID 82167740) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine
PubChem CID82167740
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine
SMILESCCn1c(N2CCN(CCCN)CC2)nc2ccccc21
InChIInChI=1S/C16H25N5/c1-2-21-15-7-4-3-6-14(15)18-16(21)20-12-10-19(11-13-20)9-5-8-17/h3-4,6-7H,2,5,8-13,17H2,1H3
InChIKeyOYHRBYCAFYQOMG-UHFFFAOYSA-N
XLogP1.53
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine
CID 71170017
4-(1-ethylbenzimidazol-2-yl)-N-methylpiperazine-1-carbothioamide
CID 1462205
2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine
CID 83417374
[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 3545151
1-(2-ethoxyethyl)-2-[4-(4-pyrazol-1-ylbutyl)-1,4-diazepan-1-yl]benzimidazole
CID 10476696
cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone
CID 46375584
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
2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine
CID 82167730
1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole
CID 3219
N-(3-ethoxypropyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbothioamide
CID 3733941
N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 44754338

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine (CID 82167740) is 3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine is CCn1c(N2CCN(CCCN)CC2)nc2ccccc21.
What is the InChIKey of 3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is OYHRBYCAFYQOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-2-21-15-7-4-3-6-14(15)18-16(21)20-12-10-19(11-13-20)9-5-8-17/h3-4,6-7H,2,5,8-13,17H2,1H3.
What are the key properties of 3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine?
3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 82167740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).