2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenol

C15H15N3O — CID 11507111

IUPAC2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenol
SMILESCn1cnc2ccc(-c3ccccc3O)c(CN)c21
InChIInChI=1S/C15H15N3O/c1-18-9-17-13-7-6-10(12(8-16)15(13)18)11-4-2-3-5-14(11)19/h2-7,9,19H,8,16H2,1H3
InChIKeyGMKNLZLMELNLLX-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.40
Rot. Bonds2

About 2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenol

2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenol (PubChem CID 11507111) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenol
PubChem CID11507111
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenol
SMILESCn1cnc2ccc(-c3ccccc3O)c(CN)c21
InChIInChI=1S/C15H15N3O/c1-18-9-17-13-7-6-10(12(8-16)15(13)18)11-4-2-3-5-14(11)19/h2-7,9,19H,8,16H2,1H3
InChIKeyGMKNLZLMELNLLX-UHFFFAOYSA-N
XLogP2.40
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenol?
The IUPAC name of 2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenol (CID 11507111) is 2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenol.
What is the SMILES notation for 2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenol?
The canonical SMILES for 2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenol is Cn1cnc2ccc(-c3ccccc3O)c(CN)c21.
What is the InChIKey of 2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenol?
The InChIKey is GMKNLZLMELNLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18-9-17-13-7-6-10(12(8-16)15(13)18)11-4-2-3-5-14(11)19/h2-7,9,19H,8,16H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenol?
2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenol has a molecular weight of 253.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-methylbenzimidazol-5-yl]phenol is sourced from PubChem (CID 11507111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).