4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane

C17H21N3 — CID 90927480

IUPAC4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
SMILESCC.CN(C)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H15N3.C2H6/c1-18(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)17-15;1-2/h3-10H,1-2H3,(H,16,17);1-2H3
InChIKeyNZPUXUJWOYVENM-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.32
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane

4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane (PubChem CID 90927480) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
PubChem CID90927480
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
SMILESCC.CN(C)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H15N3.C2H6/c1-18(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)17-15;1-2/h3-10H,1-2H3,(H,16,17);1-2H3
InChIKeyNZPUXUJWOYVENM-UHFFFAOYSA-N
XLogP4.32
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline
CID 168555273
4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile
CID 168555272
2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol
CID 139235304
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline
CID 4219722
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline
CID 168555503
4-[(E)-2-[4-(1H-benzimidazol-2-yl)-1-methylpyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline
CID 12605819

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane (CID 90927480) is 4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane is CC.CN(C)c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane?
The InChIKey is NZPUXUJWOYVENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3.C2H6/c1-18(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)17-15;1-2/h3-10H,1-2H3,(H,16,17);1-2H3.
What are the key properties of 4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane?
4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane has a molecular weight of 267.38 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane is sourced from PubChem (CID 90927480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).