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

C14H18N4 — CID 84630370

IUPAC(5-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
SMILESCC(C)(C)c1cccc2c1nc1[nH]c(CN)cn12
InChIInChI=1S/C14H18N4/c1-14(2,3)10-5-4-6-11-12(10)17-13-16-9(7-15)8-18(11)13/h4-6,8H,7,15H2,1-3H3,(H,16,17)
InChIKeyXUJBPDDLRVJZJO-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.57
Rot. Bonds1

About (5-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine

(5-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine (PubChem CID 84630370) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is (5-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
PubChem CID84630370
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name(5-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
SMILESCC(C)(C)c1cccc2c1nc1[nH]c(CN)cn12
InChIInChI=1S/C14H18N4/c1-14(2,3)10-5-4-6-11-12(10)17-13-16-9(7-15)8-18(11)13/h4-6,8H,7,15H2,1-3H3,(H,16,17)
InChIKeyXUJBPDDLRVJZJO-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-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84621934
(6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84630361
1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine
CID 84626072
3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84645039
4-tert-butyl-1-methylbenzimidazole
CID 20620201
(4-tert-butyl-1H-benzimidazol-2-yl)hydrazine
CID 84620370
7-tert-butyl-2-iodoindazole
CID 170406534
3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84643554
2-(4-tert-butylbenzimidazol-1-yl)ethanol
CID 175746461
(E)-3-(4-tert-butyl-1-ethylbenzimidazol-2-yl)prop-2-enoic acid
CID 84641774
2,4-ditert-butyl-1,3-benzothiazole
CID 150117691
(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84643908

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
The IUPAC name of (5-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine (CID 84630370) is (5-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine.
What is the SMILES notation for (5-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
The canonical SMILES for (5-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine is CC(C)(C)c1cccc2c1nc1[nH]c(CN)cn12.
What is the InChIKey of (5-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
The InChIKey is XUJBPDDLRVJZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(2,3)10-5-4-6-11-12(10)17-13-16-9(7-15)8-18(11)13/h4-6,8H,7,15H2,1-3H3,(H,16,17).
What are the key properties of (5-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine?
(5-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 (5-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine is sourced from PubChem (CID 84630370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).