(1,4,5-trimethylbenzimidazol-2-yl)methanamine

C11H15N3 — CID 84618787

IUPAC(1,4,5-trimethylbenzimidazol-2-yl)methanamine
SMILESCc1ccc2c(nc(CN)n2C)c1C
InChIInChI=1S/C11H15N3/c1-7-4-5-9-11(8(7)2)13-10(6-12)14(9)3/h4-5H,6,12H2,1-3H3
InChIKeySKAATNNTNDQZBY-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.65
Rot. Bonds1

About (1,4,5-trimethylbenzimidazol-2-yl)methanamine

(1,4,5-trimethylbenzimidazol-2-yl)methanamine (PubChem CID 84618787) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (1,4,5-trimethylbenzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1,4,5-trimethylbenzimidazol-2-yl)methanamine
PubChem CID84618787
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(1,4,5-trimethylbenzimidazol-2-yl)methanamine
SMILESCc1ccc2c(nc(CN)n2C)c1C
InChIInChI=1S/C11H15N3/c1-7-4-5-9-11(8(7)2)13-10(6-12)14(9)3/h4-5H,6,12H2,1-3H3
InChIKeySKAATNNTNDQZBY-UHFFFAOYSA-N
XLogP1.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5,6-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84625514
(1-methyl-4-propan-2-ylbenzimidazol-2-yl)methanamine
CID 84620078
(6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine
CID 84621320
(4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine
CID 84635115
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
[5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 112593888
[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104721498
N-[2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84639383
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229
[1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine
CID 104721579
1,4-dimethyl-2-(3-methylbutyl)benzimidazole
CID 22734749
[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine
CID 104721374

Frequently Asked Questions

What is the IUPAC name of (1,4,5-trimethylbenzimidazol-2-yl)methanamine?
The IUPAC name of (1,4,5-trimethylbenzimidazol-2-yl)methanamine (CID 84618787) is (1,4,5-trimethylbenzimidazol-2-yl)methanamine.
What is the SMILES notation for (1,4,5-trimethylbenzimidazol-2-yl)methanamine?
The canonical SMILES for (1,4,5-trimethylbenzimidazol-2-yl)methanamine is Cc1ccc2c(nc(CN)n2C)c1C.
What is the InChIKey of (1,4,5-trimethylbenzimidazol-2-yl)methanamine?
The InChIKey is SKAATNNTNDQZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-7-4-5-9-11(8(7)2)13-10(6-12)14(9)3/h4-5H,6,12H2,1-3H3.
What are the key properties of (1,4,5-trimethylbenzimidazol-2-yl)methanamine?
(1,4,5-trimethylbenzimidazol-2-yl)methanamine has a molecular weight of 189.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4,5-trimethylbenzimidazol-2-yl)methanamine is sourced from PubChem (CID 84618787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).