(6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine

C14H18N4 — CID 84630361

IUPAC(6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
SMILESCC(C)(C)c1ccc2c(c1)nc1[nH]c(CN)cn12
InChIInChI=1S/C14H18N4/c1-14(2,3)9-4-5-12-11(6-9)17-13-16-10(7-15)8-18(12)13/h4-6,8H,7,15H2,1-3H3,(H,16,17)
InChIKeyRTQFJDHDBFXBSU-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.57
Rot. Bonds1

About (6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine

(6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine (PubChem CID 84630361) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is (6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
PubChem CID84630361
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name(6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
SMILESCC(C)(C)c1ccc2c(c1)nc1[nH]c(CN)cn12
InChIInChI=1S/C14H18N4/c1-14(2,3)9-4-5-12-11(6-9)17-13-16-10(7-15)8-18(12)13/h4-6,8H,7,15H2,1-3H3,(H,16,17)
InChIKeyRTQFJDHDBFXBSU-UHFFFAOYSA-N
XLogP2.57
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84630370
3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84643554
(5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84621934
2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine
CID 84632050
2,7-ditert-butylphenazine
CID 59610780
N-methyl-2-(7-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84625486
6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84622077
2-(5-tert-butylbenzimidazol-1-yl)ethanol
CID 176701659
5-tert-butyl-2-methylbenzotriazole
CID 138667853
3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 81072191
3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline
CID 70651033
3-(5-tert-butyl-1-methylbenzimidazol-2-yl)propanoic acid
CID 84638243

Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
The IUPAC name of (6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine (CID 84630361) is (6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine.
What is the SMILES notation for (6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
The canonical SMILES for (6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine is CC(C)(C)c1ccc2c(c1)nc1[nH]c(CN)cn12.
What is the InChIKey of (6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
The InChIKey is RTQFJDHDBFXBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(2,3)9-4-5-12-11(6-9)17-13-16-10(7-15)8-18(12)13/h4-6,8H,7,15H2,1-3H3,(H,16,17).
What are the key properties of (6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
(6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine has a molecular weight of 242.33 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine is sourced from PubChem (CID 84630361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).