2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol

C14H21N5O — CID 83972438

IUPAC2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol
SMILESNCc1nc2ccc(N3CCN(CCO)CC3)cc2[nH]1
InChIInChI=1S/C14H21N5O/c15-10-14-16-12-2-1-11(9-13(12)17-14)19-5-3-18(4-6-19)7-8-20/h1-2,9,20H,3-8,10,15H2,(H,16,17)
InChIKeyBVVGTWVAAKYYIV-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.14
Rot. Bonds4

About 2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol

2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol (PubChem CID 83972438) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol
PubChem CID83972438
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol
SMILESNCc1nc2ccc(N3CCN(CCO)CC3)cc2[nH]1
InChIInChI=1S/C14H21N5O/c15-10-14-16-12-2-1-11(9-13(12)17-14)19-5-3-18(4-6-19)7-8-20/h1-2,9,20H,3-8,10,15H2,(H,16,17)
InChIKeyBVVGTWVAAKYYIV-UHFFFAOYSA-N
XLogP0.14
TPSA81.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol (CID 83972438) is 2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol is NCc1nc2ccc(N3CCN(CCO)CC3)cc2[nH]1.
What is the InChIKey of 2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol?
The InChIKey is BVVGTWVAAKYYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c15-10-14-16-12-2-1-11(9-13(12)17-14)19-5-3-18(4-6-19)7-8-20/h1-2,9,20H,3-8,10,15H2,(H,16,17).
What are the key properties of 2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol?
2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol has a molecular weight of 275.36 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 83972438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).