1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol

C11H15N3O — CID 65040057

IUPAC1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(CN)ccc2n1C
InChIInChI=1S/C11H15N3O/c1-7(15)11-13-9-5-8(6-12)3-4-10(9)14(11)2/h3-5,7,15H,6,12H2,1-2H3
InChIKeySTTCVWPQGIRBBC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.09
Rot. Bonds2

About 1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol

1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol (PubChem CID 65040057) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol
PubChem CID65040057
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(CN)ccc2n1C
InChIInChI=1S/C11H15N3O/c1-7(15)11-13-9-5-8(6-12)3-4-10(9)14(11)2/h3-5,7,15H,6,12H2,1-2H3
InChIKeySTTCVWPQGIRBBC-UHFFFAOYSA-N
XLogP1.09
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-heptan-4-yl-1-methylbenzimidazol-5-yl)methanamine
CID 82987206
[1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine
CID 65038202
(1R)-1-(1-methyl-5-nitrobenzimidazol-2-yl)ethanol
CID 676758
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 83149878
[2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine
CID 65037741
methyl 5-(aminomethyl)-1-methylbenzimidazole-2-carboxylate
CID 84786620
[2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040719
[2-(3-methylbutan-2-yl)-1-(2-methylpropyl)benzimidazol-5-yl]methanamine
CID 65037716
(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine
CID 82990601
(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037847
(1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine
CID 65037779

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol (CID 65040057) is 1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol is CC(O)c1nc2cc(CN)ccc2n1C.
What is the InChIKey of 1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol?
The InChIKey is STTCVWPQGIRBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(15)11-13-9-5-8(6-12)3-4-10(9)14(11)2/h3-5,7,15H,6,12H2,1-2H3.
What are the key properties of 1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol?
1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol has a molecular weight of 205.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-1-methylbenzimidazol-2-yl]ethanol is sourced from PubChem (CID 65040057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).