4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol

C15H15N3O — CID 43746360

IUPAC4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
SMILESCc1nc2ccc(NCc3ccc(O)cc3)cc2[nH]1
InChIInChI=1S/C15H15N3O/c1-10-17-14-7-4-12(8-15(14)18-10)16-9-11-2-5-13(19)6-3-11/h2-8,16,19H,9H2,1H3,(H,17,18)
InChIKeyKVGUTZWOECNJSE-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.19
Rot. Bonds3

About 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol

4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol (PubChem CID 43746360) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
PubChem CID43746360
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
SMILESCc1nc2ccc(NCc3ccc(O)cc3)cc2[nH]1
InChIInChI=1S/C15H15N3O/c1-10-17-14-7-4-12(8-15(14)18-10)16-9-11-2-5-13(19)6-3-11/h2-8,16,19H,9H2,1H3,(H,17,18)
InChIKeyKVGUTZWOECNJSE-UHFFFAOYSA-N
XLogP3.19
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzoic acid
CID 65347579
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide
CID 43791195
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzene-1,3-diol
CID 43746434
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62121977
N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 55163006
N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62392283
2-methyl-N-[(3-nitrophenyl)methyl]-3H-benzimidazol-5-amine
CID 43232967
2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine
CID 62759070
2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine
CID 43746402
2-N-ethyl-5-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-2,5-diamine
CID 110170414
3-[(2-methyl-3H-benzimidazol-5-yl)amino]propanoic acid
CID 82493805
N-[(2-fluoro-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 103818702

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol (CID 43746360) is 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol is Cc1nc2ccc(NCc3ccc(O)cc3)cc2[nH]1.
What is the InChIKey of 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol?
The InChIKey is KVGUTZWOECNJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-17-14-7-4-12(8-15(14)18-10)16-9-11-2-5-13(19)6-3-11/h2-8,16,19H,9H2,1H3,(H,17,18).
What are the key properties of 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol?
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol has a molecular weight of 253.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol is sourced from PubChem (CID 43746360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).