1-[3-(dimethylamino)phenyl]benzimidazol-5-amine

C15H16N4 — CID 115379111

IUPAC1-[3-(dimethylamino)phenyl]benzimidazol-5-amine
SMILESCN(C)c1cccc(-n2cnc3cc(N)ccc32)c1
InChIInChI=1S/C15H16N4/c1-18(2)12-4-3-5-13(9-12)19-10-17-14-8-11(16)6-7-15(14)19/h3-10H,16H2,1-2H3
InChIKeyDDHNEXINKFHLOV-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.67
Rot. Bonds2

About 1-[3-(dimethylamino)phenyl]benzimidazol-5-amine

1-[3-(dimethylamino)phenyl]benzimidazol-5-amine (PubChem CID 115379111) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]benzimidazol-5-amine
PubChem CID115379111
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1-[3-(dimethylamino)phenyl]benzimidazol-5-amine
SMILESCN(C)c1cccc(-n2cnc3cc(N)ccc32)c1
InChIInChI=1S/C15H16N4/c1-18(2)12-4-3-5-13(9-12)19-10-17-14-8-11(16)6-7-15(14)19/h3-10H,16H2,1-2H3
InChIKeyDDHNEXINKFHLOV-UHFFFAOYSA-N
XLogP2.67
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylphenyl)benzimidazol-5-amine
CID 62508491
1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine
CID 115379110
1-naphthalen-2-ylbenzimidazol-5-amine
CID 62507384
1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine
CID 115379112
1-(4-methoxyphenyl)benzimidazol-5-amine
CID 783122
1-thiophen-3-ylbenzimidazol-5-amine
CID 66355194
1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine
CID 107623243
1-[3-(dimethylamino)phenyl]benzimidazole-4-carboxylic acid
CID 115543982
1-(6-bromo-2-pyridinyl)benzimidazol-5-amine
CID 58217164
1-(4-aminophenyl)benzimidazol-5-ol;ethane
CID 145364845
1-[4-(trifluoromethoxy)phenyl]benzimidazol-5-amine
CID 62507837
N-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine
CID 3562537

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]benzimidazol-5-amine?
The IUPAC name of 1-[3-(dimethylamino)phenyl]benzimidazol-5-amine (CID 115379111) is 1-[3-(dimethylamino)phenyl]benzimidazol-5-amine.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]benzimidazol-5-amine?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]benzimidazol-5-amine is CN(C)c1cccc(-n2cnc3cc(N)ccc32)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]benzimidazol-5-amine?
The InChIKey is DDHNEXINKFHLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-18(2)12-4-3-5-13(9-12)19-10-17-14-8-11(16)6-7-15(14)19/h3-10H,16H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)phenyl]benzimidazol-5-amine?
1-[3-(dimethylamino)phenyl]benzimidazol-5-amine has a molecular weight of 252.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]benzimidazol-5-amine is sourced from PubChem (CID 115379111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).