1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine

C16H18N4 — CID 115379110

IUPAC1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1-c1cccc(N(C)C)c1
InChIInChI=1S/C16H18N4/c1-11-18-15-9-12(17)7-8-16(15)20(11)14-6-4-5-13(10-14)19(2)3/h4-10H,17H2,1-3H3
InChIKeyQCKYJEMMIGWGMH-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.98
Rot. Bonds2

About 1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine

1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine (PubChem CID 115379110) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine
PubChem CID115379110
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1-c1cccc(N(C)C)c1
InChIInChI=1S/C16H18N4/c1-11-18-15-9-12(17)7-8-16(15)20(11)14-6-4-5-13(10-14)19(2)3/h4-10H,17H2,1-3H3
InChIKeyQCKYJEMMIGWGMH-UHFFFAOYSA-N
XLogP2.98
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.98
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-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine
CID 115379112
1-[3-(dimethylamino)phenyl]benzimidazol-5-amine
CID 115379111
5,6-dichloro-1-[3-(dimethylamino)phenyl]benzimidazol-2-amine
CID 115378675
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzimidazol-5-amine
CID 62507342
1-(2-bromophenyl)-2-methylbenzimidazol-5-amine
CID 62507674
3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one
CID 3031710
2-methyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-amine
CID 62506357
2-methyl-3-phenylbenzimidazol-5-amine
CID 9115278
2-methylbenzimidazole-1,5-diamine
CID 83418174
1-(4-bromo-2,6-dimethylphenyl)-2-methylbenzimidazol-5-amine
CID 65499671
2-methyl-1-(4-propoxyphenyl)benzimidazol-5-amine
CID 62506071
1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine
CID 55080364

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine (CID 115379110) is 1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine is Cc1nc2cc(N)ccc2n1-c1cccc(N(C)C)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine?
The InChIKey is QCKYJEMMIGWGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-18-15-9-12(17)7-8-16(15)20(11)14-6-4-5-13(10-14)19(2)3/h4-10H,17H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine?
1-[3-(dimethylamino)phenyl]-2-methylbenzimidazol-5-amine has a molecular weight of 266.35 g/mol, XLogP of 2.98, 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]-2-methylbenzimidazol-5-amine is sourced from PubChem (CID 115379110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).