(2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

C17H23N5O2 — CID 121333740

IUPAC(2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESNc1nc2ccc(C(=O)N3CCN(CC4CCCO4)CC3)cc2[nH]1
InChIInChI=1S/C17H23N5O2/c18-17-19-14-4-3-12(10-15(14)20-17)16(23)22-7-5-21(6-8-22)11-13-2-1-9-24-13/h3-4,10,13H,1-2,5-9,11H2,(H3,18,19,20)
InChIKeyZMLIYAMJZIRXGY-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.08
Rot. Bonds3

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

(2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 121333740) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID121333740
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESNc1nc2ccc(C(=O)N3CCN(CC4CCCO4)CC3)cc2[nH]1
InChIInChI=1S/C17H23N5O2/c18-17-19-14-4-3-12(10-15(14)20-17)16(23)22-7-5-21(6-8-22)11-13-2-1-9-24-13/h3-4,10,13H,1-2,5-9,11H2,(H3,18,19,20)
InChIKeyZMLIYAMJZIRXGY-UHFFFAOYSA-N
XLogP1.08
TPSA87.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1H-indol-6-yl-[4-(oxan-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 138386314
(3,4-dinitrophenyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 121333742
(6-chloro-2-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 62232904
(4-cyclopentyloxy-3-methoxyphenyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55979698
(5-hydroxy-3-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 63858865
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
(3-aminothiophen-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 61115634
(5-bromothiophen-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 60739680
(4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 62686709
[4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 78968015
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 55337800
(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 72886454

Frequently Asked Questions

What is the IUPAC name of (2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (CID 121333740) is (2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is Nc1nc2ccc(C(=O)N3CCN(CC4CCCO4)CC3)cc2[nH]1.
What is the InChIKey of (2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is ZMLIYAMJZIRXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c18-17-19-14-4-3-12(10-15(14)20-17)16(23)22-7-5-21(6-8-22)11-13-2-1-9-24-13/h3-4,10,13H,1-2,5-9,11H2,(H3,18,19,20).
What are the key properties of (2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
(2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3H-benzimidazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 121333740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).