3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

C15H20N4O2 — CID 56802688

IUPAC3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C15H20N4O2/c1-11(20)9-18-4-6-19(7-5-18)15(21)12-2-3-13-14(8-12)17-10-16-13/h2-3,8,10-11,20H,4-7,9H2,1H3,(H,16,17)
InChIKeyLAJMWXLOYWAKNN-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.70
Rot. Bonds3

About 3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (PubChem CID 56802688) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
PubChem CID56802688
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C15H20N4O2/c1-11(20)9-18-4-6-19(7-5-18)15(21)12-2-3-13-14(8-12)17-10-16-13/h2-3,8,10-11,20H,4-7,9H2,1H3,(H,16,17)
InChIKeyLAJMWXLOYWAKNN-UHFFFAOYSA-N
XLogP0.70
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 60563124
3H-benzimidazol-5-yl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814747
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one
CID 60563326
3H-benzimidazol-5-yl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43582193
prop-2-enyl 4-(3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 108569341
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453817
3H-benzimidazol-5-yl-[4-[2-(1-methylimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]methanone
CID 137340057
[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone
CID 126783994

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (CID 56802688) is 3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is CC(O)CN1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of 3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The InChIKey is LAJMWXLOYWAKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(20)9-18-4-6-19(7-5-18)15(21)12-2-3-13-14(8-12)17-10-16-13/h2-3,8,10-11,20H,4-7,9H2,1H3,(H,16,17).
What are the key properties of 3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone has a molecular weight of 288.35 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56802688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).