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

C17H17N7O2 — CID 126783994

IUPAC[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone
SMILESNc1nccnc1C(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C17H17N7O2/c18-15-14(19-3-4-20-15)17(26)24-7-5-23(6-8-24)16(25)11-1-2-12-13(9-11)22-10-21-12/h1-4,9-10H,5-8H2,(H2,18,20)(H,21,22)
InChIKeyJXMWEKXODRIBBK-UHFFFAOYSA-N
MW351.37 g/mol
LogP0.53
Rot. Bonds2

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

[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone (PubChem CID 126783994) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone
PubChem CID126783994
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone
SMILESNc1nccnc1C(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C17H17N7O2/c18-15-14(19-3-4-20-15)17(26)24-7-5-23(6-8-24)16(25)11-1-2-12-13(9-11)22-10-21-12/h1-4,9-10H,5-8H2,(H2,18,20)(H,21,22)
InChIKeyJXMWEKXODRIBBK-UHFFFAOYSA-N
XLogP0.53
TPSA121.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
3H-benzimidazol-5-yl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814747
3H-benzimidazol-5-yl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43582193
3H-benzimidazol-5-yl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 99200972
prop-2-enyl 4-(3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 108569341
3H-benzimidazol-5-yl-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544139
3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56802688
[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108547387
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453817

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone?
The IUPAC name of [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone (CID 126783994) is [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone?
The canonical SMILES for [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone is Nc1nccnc1C(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone?
The InChIKey is JXMWEKXODRIBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c18-15-14(19-3-4-20-15)17(26)24-7-5-23(6-8-24)16(25)11-1-2-12-13(9-11)22-10-21-12/h1-4,9-10H,5-8H2,(H2,18,20)(H,21,22).
What are the key properties of [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone?
[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone has a molecular weight of 351.37 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 126783994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).