molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate

C18H19N5O3 — CID 143986416

IUPACmolecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate
SMILESO=C(Oc1cccnc1)N1CCN(C(=O)c2nc3ccccc3[nH]2)CC1.[H][H]
InChIInChI=1S/C18H17N5O3.H2/c24-17(16-20-14-5-1-2-6-15(14)21-16)22-8-10-23(11-9-22)18(25)26-13-4-3-7-19-12-13;/h1-7,12H,8-11H2,(H,20,21);1H
InChIKeyBYTVCVBIWCADHO-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.16
Rot. Bonds2

About molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate

molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate (PubChem CID 143986416) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemolecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate
PubChem CID143986416
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Namemolecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate
SMILESO=C(Oc1cccnc1)N1CCN(C(=O)c2nc3ccccc3[nH]2)CC1.[H][H]
InChIInChI=1S/C18H17N5O3.H2/c24-17(16-20-14-5-1-2-6-15(14)21-16)22-8-10-23(11-9-22)18(25)26-13-4-3-7-19-12-13;/h1-7,12H,8-11H2,(H,20,21);1H
InChIKeyBYTVCVBIWCADHO-UHFFFAOYSA-N
XLogP2.16
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
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pyridin-3-yl 4-(1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 46199909
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 58417893
1-O-benzyl 4-O-pyridin-3-yl piperazine-1,4-dicarboxylate
CID 58417900
1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone
CID 167892131
pyridin-3-yl 4-[(E)-3-phenylprop-2-enoyl]piperazine-1-carboxylate
CID 15950843
1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 46909812
1H-benzimidazol-2-yl-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 139721550
N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide
CID 131904491
pyridin-3-yl 4-(6-chloro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
CID 58417846

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate (CID 143986416) is molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate is O=C(Oc1cccnc1)N1CCN(C(=O)c2nc3ccccc3[nH]2)CC1.[H][H].
What is the InChIKey of molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is BYTVCVBIWCADHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3.H2/c24-17(16-20-14-5-1-2-6-15(14)21-16)22-8-10-23(11-9-22)18(25)26-13-4-3-7-19-12-13;/h1-7,12H,8-11H2,(H,20,21);1H.
What are the key properties of molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate?
molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;pyridin-3-yl 4-(1H-benzimidazole-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 143986416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).