N-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride

C15H19Cl2N7O — CID 68950637

IUPACN-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(c1nc2ccccc2[nH]1)N(c1ncn[nH]1)C1CCCNC1
InChIInChI=1S/C15H17N7O.2ClH/c23-14(13-19-11-5-1-2-6-12(11)20-13)22(15-17-9-18-21-15)10-4-3-7-16-8-10;;/h1-2,5-6,9-10,16H,3-4,7-8H2,(H,19,20)(H,17,18,21);2*1H
InChIKeyGMJNHSGJLBNOJX-UHFFFAOYSA-N
MW384.27 g/mol
LogP1.92
Rot. Bonds3

About N-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride

N-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride (PubChem CID 68950637) has the molecular formula C15H19Cl2N7O and a molecular weight of 384.27 g/mol. Its IUPAC name is N-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride
PubChem CID68950637
Molecular FormulaC15H19Cl2N7O
Molecular Weight384.27 g/mol
Exact Mass383.10
IUPAC NameN-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(c1nc2ccccc2[nH]1)N(c1ncn[nH]1)C1CCCNC1
InChIInChI=1S/C15H17N7O.2ClH/c23-14(13-19-11-5-1-2-6-12(11)20-13)22(15-17-9-18-21-15)10-4-3-7-16-8-10;;/h1-2,5-6,9-10,16H,3-4,7-8H2,(H,19,20)(H,17,18,21);2*1H
InChIKeyGMJNHSGJLBNOJX-UHFFFAOYSA-N
XLogP1.92
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride?
The IUPAC name of N-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride (CID 68950637) is N-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride?
The canonical SMILES for N-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride is Cl.Cl.O=C(c1nc2ccccc2[nH]1)N(c1ncn[nH]1)C1CCCNC1.
What is the InChIKey of N-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride?
The InChIKey is GMJNHSGJLBNOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O.2ClH/c23-14(13-19-11-5-1-2-6-12(11)20-13)22(15-17-9-18-21-15)10-4-3-7-16-8-10;;/h1-2,5-6,9-10,16H,3-4,7-8H2,(H,19,20)(H,17,18,21);2*1H.
What are the key properties of N-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride?
N-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride has a molecular weight of 384.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-N-(1H-1,2,4-triazol-5-yl)-1H-benzimidazole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 68950637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).