2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine

C14H21N5 — CID 115230151

IUPAC2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine
SMILESc1nc2ccc(CCNCN3CCNCC3)cc2[nH]1
InChIInChI=1S/C14H21N5/c1-2-13-14(18-10-17-13)9-12(1)3-4-16-11-19-7-5-15-6-8-19/h1-2,9-10,15-16H,3-8,11H2,(H,17,18)
InChIKeyHDMMLSOLRAVQJX-UHFFFAOYSA-N
MW259.36 g/mol
LogP0.56
Rot. Bonds5

About 2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine

2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine (PubChem CID 115230151) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine
PubChem CID115230151
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine
SMILESc1nc2ccc(CCNCN3CCNCC3)cc2[nH]1
InChIInChI=1S/C14H21N5/c1-2-13-14(18-10-17-13)9-12(1)3-4-16-11-19-7-5-15-6-8-19/h1-2,9-10,15-16H,3-8,11H2,(H,17,18)
InChIKeyHDMMLSOLRAVQJX-UHFFFAOYSA-N
XLogP0.56
TPSA55.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115136178
1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine
CID 115205454
2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115132184
6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437
2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230156
6-(piperazin-1-ylmethoxy)-1H-benzimidazole
CID 84816221
2-(3-bromophenyl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230159
1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone
CID 82497581
N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252579
1-[[2-(3H-benzimidazol-5-yl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243084
4-[3-(3H-benzimidazol-5-yl)propyl]morpholine
CID 170870089
N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158058

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine (CID 115230151) is 2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine is c1nc2ccc(CCNCN3CCNCC3)cc2[nH]1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine?
The InChIKey is HDMMLSOLRAVQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-13-14(18-10-17-13)9-12(1)3-4-16-11-19-7-5-15-6-8-19/h1-2,9-10,15-16H,3-8,11H2,(H,17,18).
What are the key properties of 2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine?
2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine has a molecular weight of 259.36 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine is sourced from PubChem (CID 115230151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).