N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide

C20H24N4O2 — CID 155946321

IUPACN-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide
SMILESCN(C)CCOc1ccc(CCNC(=O)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C20H24N4O2/c1-24(2)11-12-26-17-6-3-15(4-7-17)9-10-21-20(25)16-5-8-18-19(13-16)23-14-22-18/h3-8,13-14H,9-12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyWOOMIXCXEBBOLD-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.48
Rot. Bonds8

About N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide

N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 155946321) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID155946321
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide
SMILESCN(C)CCOc1ccc(CCNC(=O)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C20H24N4O2/c1-24(2)11-12-26-17-6-3-15(4-7-17)9-10-21-20(25)16-5-8-18-19(13-16)23-14-22-18/h3-8,13-14H,9-12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyWOOMIXCXEBBOLD-UHFFFAOYSA-N
XLogP2.48
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 38503100
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3H-benzimidazole-5-carboxamide
CID 87641499
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 146025489
N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 162475307
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795256
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649
N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 43397885
N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride
CID 121379529
N-[2-(4-oxopentanoylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 108542186
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795807

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide (CID 155946321) is N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide is CN(C)CCOc1ccc(CCNC(=O)c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is WOOMIXCXEBBOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-24(2)11-12-26-17-6-3-15(4-7-17)9-10-21-20(25)16-5-8-18-19(13-16)23-14-22-18/h3-8,13-14H,9-12H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 155946321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).