6-(2-methylpiperazin-2-yl)-1H-benzimidazole

C12H16N4 — CID 116856328

IUPAC6-(2-methylpiperazin-2-yl)-1H-benzimidazole
SMILESCC1(c2ccc3nc[nH]c3c2)CNCCN1
InChIInChI=1S/C12H16N4/c1-12(7-13-4-5-16-12)9-2-3-10-11(6-9)15-8-14-10/h2-3,6,8,13,16H,4-5,7H2,1H3,(H,14,15)
InChIKeyNDNQZESGGZCHFF-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.97
Rot. Bonds1

About 6-(2-methylpiperazin-2-yl)-1H-benzimidazole

6-(2-methylpiperazin-2-yl)-1H-benzimidazole (PubChem CID 116856328) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-(2-methylpiperazin-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(2-methylpiperazin-2-yl)-1H-benzimidazole
PubChem CID116856328
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-(2-methylpiperazin-2-yl)-1H-benzimidazole
SMILESCC1(c2ccc3nc[nH]c3c2)CNCCN1
InChIInChI=1S/C12H16N4/c1-12(7-13-4-5-16-12)9-2-3-10-11(6-9)15-8-14-10/h2-3,6,8,13,16H,4-5,7H2,1H3,(H,14,15)
InChIKeyNDNQZESGGZCHFF-UHFFFAOYSA-N
XLogP0.97
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-(2-methylpiperazin-2-yl)-1H-benzimidazole 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

2-methyl-6-(2-methylpiperazin-2-yl)-1,3-benzoxazole
CID 116856326
3-(3H-benzimidazol-5-yl)oxetan-3-amine
CID 116872687
6-(1-tert-butylcyclopropyl)-1H-benzimidazole
CID 118329254
2-methyl-5-(2-methylpiperazin-2-yl)-1,3-benzoxazole
CID 116856332
1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83711577
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine
CID 116856338
methyl 1-(3H-benzimidazol-5-yl)cyclopropane-1-carboxylate
CID 116964016
[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine
CID 82607892
1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine
CID 116869295
6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole
CID 116875889
2-(3H-benzimidazol-5-yl)-2-methylpyrrolidine-1-carboxylic acid
CID 67468996
ethane;6-ethenyl-1H-benzimidazole
CID 145471752

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpiperazin-2-yl)-1H-benzimidazole?
The IUPAC name of 6-(2-methylpiperazin-2-yl)-1H-benzimidazole (CID 116856328) is 6-(2-methylpiperazin-2-yl)-1H-benzimidazole.
What is the SMILES notation for 6-(2-methylpiperazin-2-yl)-1H-benzimidazole?
The canonical SMILES for 6-(2-methylpiperazin-2-yl)-1H-benzimidazole is CC1(c2ccc3nc[nH]c3c2)CNCCN1.
What is the InChIKey of 6-(2-methylpiperazin-2-yl)-1H-benzimidazole?
The InChIKey is NDNQZESGGZCHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-12(7-13-4-5-16-12)9-2-3-10-11(6-9)15-8-14-10/h2-3,6,8,13,16H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 6-(2-methylpiperazin-2-yl)-1H-benzimidazole?
6-(2-methylpiperazin-2-yl)-1H-benzimidazole has a molecular weight of 216.29 g/mol, XLogP of 0.97, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpiperazin-2-yl)-1H-benzimidazole is sourced from PubChem (CID 116856328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).