N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride

C14H19Cl3N4O — CID 154909809

IUPACN-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)C1CCN1
InChIInChI=1S/C14H17ClN4O.2ClH/c15-9-3-4-10-12(8-9)19-13(18-10)2-1-6-17-14(20)11-5-7-16-11;;/h3-4,8,11,16H,1-2,5-7H2,(H,17,20)(H,18,19);2*1H
InChIKeyOKNGWRYMZRRXGF-UHFFFAOYSA-N
MW365.69 g/mol
LogP2.47
Rot. Bonds5

About N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride

N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride (PubChem CID 154909809) has the molecular formula C14H19Cl3N4O and a molecular weight of 365.69 g/mol. Its IUPAC name is N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride
PubChem CID154909809
Molecular FormulaC14H19Cl3N4O
Molecular Weight365.69 g/mol
Exact Mass364.06
IUPAC NameN-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)C1CCN1
InChIInChI=1S/C14H17ClN4O.2ClH/c15-9-3-4-10-12(8-9)19-13(18-10)2-1-6-17-14(20)11-5-7-16-11;;/h3-4,8,11,16H,1-2,5-7H2,(H,17,20)(H,18,19);2*1H
InChIKeyOKNGWRYMZRRXGF-UHFFFAOYSA-N
XLogP2.47
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.69
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride (CID 154909809) is N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)C1CCN1.
What is the InChIKey of N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride?
The InChIKey is OKNGWRYMZRRXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O.2ClH/c15-9-3-4-10-12(8-9)19-13(18-10)2-1-6-17-14(20)11-5-7-16-11;;/h3-4,8,11,16H,1-2,5-7H2,(H,17,20)(H,18,19);2*1H.
What are the key properties of N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride?
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride has a molecular weight of 365.69 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 154909809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).