(3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine

C13H16N4 — CID 84625514

IUPAC(3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
SMILESCc1ccc2c(nc3n(C)c(CN)cn23)c1C
InChIInChI=1S/C13H16N4/c1-8-4-5-11-12(9(8)2)15-13-16(3)10(6-14)7-17(11)13/h4-5,7H,6,14H2,1-3H3
InChIKeyUVIVVVIJDYSKAJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.90
Rot. Bonds1

About (3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine

(3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine (PubChem CID 84625514) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is (3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
PubChem CID84625514
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name(3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
SMILESCc1ccc2c(nc3n(C)c(CN)cn23)c1C
InChIInChI=1S/C13H16N4/c1-8-4-5-11-12(9(8)2)15-13-16(3)10(6-14)7-17(11)13/h4-5,7H,6,14H2,1-3H3
InChIKeyUVIVVVIJDYSKAJ-UHFFFAOYSA-N
XLogP1.90
TPSA48.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,4,5-trimethylbenzimidazol-2-yl)methanamine
CID 84618787
(3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84630360
2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84639038
2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84633298
1-(5-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine
CID 84643906
N-methyl-1-(3,6,7-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84630375
ethane;2,6,7-trimethylindazole
CID 156845180
2-(6-ethyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylethanamine
CID 84636125
1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 84636844
9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene
CID 159622123
(6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine
CID 84621320
N-methyl-1-(3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84636129

Frequently Asked Questions

What is the IUPAC name of (3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine?
The IUPAC name of (3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine (CID 84625514) is (3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine.
What is the SMILES notation for (3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine?
The canonical SMILES for (3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine is Cc1ccc2c(nc3n(C)c(CN)cn23)c1C.
What is the InChIKey of (3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine?
The InChIKey is UVIVVVIJDYSKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-8-4-5-11-12(9(8)2)15-13-16(3)10(6-14)7-17(11)13/h4-5,7H,6,14H2,1-3H3.
What are the key properties of (3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine?
(3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine has a molecular weight of 228.30 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine is sourced from PubChem (CID 84625514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).