N-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride

C17H24ClN5O — CID 157052291

IUPACN-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride
SMILESCl.O=C(NCCn1cnc2ccccc21)C1CCc2nc[nH]c2C1.[H][H].[H][H]
InChIInChI=1S/C17H19N5O.ClH.2H2/c23-17(12-5-6-13-15(9-12)20-10-19-13)18-7-8-22-11-21-14-3-1-2-4-16(14)22;;;/h1-4,10-12H,5-9H2,(H,18,23)(H,19,20);3*1H
InChIKeyZNUOIJGFPTXCKX-UHFFFAOYSA-N
MW349.87 g/mol
LogP2.59
Rot. Bonds4

About N-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride

N-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride (PubChem CID 157052291) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride
PubChem CID157052291
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride
SMILESCl.O=C(NCCn1cnc2ccccc21)C1CCc2nc[nH]c2C1.[H][H].[H][H]
InChIInChI=1S/C17H19N5O.ClH.2H2/c23-17(12-5-6-13-15(9-12)20-10-19-13)18-7-8-22-11-21-14-3-1-2-4-16(14)22;;;/h1-4,10-12H,5-9H2,(H,18,23)(H,19,20);3*1H
InChIKeyZNUOIJGFPTXCKX-UHFFFAOYSA-N
XLogP2.59
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride with MolForge

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Related Compounds

(5R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661224
(5R)-N-(2-acetamidoethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662860
N-butyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639977
(5S)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100660418
N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640012
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640015
(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 103813325
(5R)-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661129
1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide
CID 55408023
N-(2,2-diethoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639994
1-[2-(benzimidazol-1-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122001859
(3R)-N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1,4-thiazepane-3-carboxamide
CID 100816417

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride (CID 157052291) is N-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride is Cl.O=C(NCCn1cnc2ccccc21)C1CCc2nc[nH]c2C1.[H][H].[H][H].
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride?
The InChIKey is ZNUOIJGFPTXCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O.ClH.2H2/c23-17(12-5-6-13-15(9-12)20-10-19-13)18-7-8-22-11-21-14-3-1-2-4-16(14)22;;;/h1-4,10-12H,5-9H2,(H,18,23)(H,19,20);3*1H.
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride?
N-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride has a molecular weight of 349.87 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;molecular hydrogen;hydrochloride is sourced from PubChem (CID 157052291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).