N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C19H25Cl2N7O2 — CID 119860361

IUPACN-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc2nc(C3CCCO3)[nH]c2c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H23N7O2.2ClH/c27-19(16-11-26(25-24-16)13-5-7-20-8-6-13)21-12-3-4-14-15(10-12)23-18(22-14)17-2-1-9-28-17;;/h3-4,10-11,13,17,20H,1-2,5-9H2,(H,21,27)(H,22,23);2*1H
InChIKeyOOFLJTKQCKDPKN-UHFFFAOYSA-N
MW454.36 g/mol
LogP3.03
Rot. Bonds4

About N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119860361) has the molecular formula C19H25Cl2N7O2 and a molecular weight of 454.36 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119860361
Molecular FormulaC19H25Cl2N7O2
Molecular Weight454.36 g/mol
Exact Mass453.14
IUPAC NameN-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc2nc(C3CCCO3)[nH]c2c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H23N7O2.2ClH/c27-19(16-11-26(25-24-16)13-5-7-20-8-6-13)21-12-3-4-14-15(10-12)23-18(22-14)17-2-1-9-28-17;;/h3-4,10-11,13,17,20H,1-2,5-9H2,(H,21,27)(H,22,23);2*1H
InChIKeyOOFLJTKQCKDPKN-UHFFFAOYSA-N
XLogP3.03
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.36
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860353
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860407
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide
CID 71936234
N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119702697
2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride
CID 120798817
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119754268
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119892331
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 119860393

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119860361) is N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc2nc(C3CCCO3)[nH]c2c1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is OOFLJTKQCKDPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2.2ClH/c27-19(16-11-26(25-24-16)13-5-7-20-8-6-13)21-12-3-4-14-15(10-12)23-18(22-14)17-2-1-9-28-17;;/h3-4,10-11,13,17,20H,1-2,5-9H2,(H,21,27)(H,22,23);2*1H.
What are the key properties of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 454.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119860361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).