N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride

C19H22Cl2N4O — CID 119832390

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1CCNCC1
InChIInChI=1S/C19H20N4O.2ClH/c24-19(13-8-10-20-11-9-13)21-15-5-3-4-14(12-15)18-22-16-6-1-2-7-17(16)23-18;;/h1-7,12-13,20H,8-11H2,(H,21,24)(H,22,23);2*1H
InChIKeyWAFBYRXCRWIPDU-UHFFFAOYSA-N
MW393.32 g/mol
LogP4.01
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride

N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119832390) has the molecular formula C19H22Cl2N4O and a molecular weight of 393.32 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119832390
Molecular FormulaC19H22Cl2N4O
Molecular Weight393.32 g/mol
Exact Mass392.12
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1CCNCC1
InChIInChI=1S/C19H20N4O.2ClH/c24-19(13-8-10-20-11-9-13)21-15-5-3-4-14(12-15)18-22-16-6-1-2-7-17(16)23-18;;/h1-7,12-13,20H,8-11H2,(H,21,24)(H,22,23);2*1H
InChIKeyWAFBYRXCRWIPDU-UHFFFAOYSA-N
XLogP4.01
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 1278030
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134040998
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
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CID 3706187
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide
CID 142812767
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119164418
dimethyl (E)-2-[3-(1H-benzimidazol-2-yl)anilino]but-2-enedioate
CID 168568180
N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 1108445

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride (CID 119832390) is N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1CCNCC1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is WAFBYRXCRWIPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.2ClH/c24-19(13-8-10-20-11-9-13)21-15-5-3-4-14(12-15)18-22-16-6-1-2-7-17(16)23-18;;/h1-7,12-13,20H,8-11H2,(H,21,24)(H,22,23);2*1H.
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride?
N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 393.32 g/mol, XLogP of 4.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119832390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).