4-[(1H-benzimidazol-2-ylamino)methyl]phenol

C14H13N3O — CID 83296982

IUPAC4-[(1H-benzimidazol-2-ylamino)methyl]phenol
SMILESOc1ccc(CNc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H13N3O/c18-11-7-5-10(6-8-11)9-15-14-16-12-3-1-2-4-13(12)17-14/h1-8,18H,9H2,(H2,15,16,17)
InChIKeyVVUTXAUJCXQMIR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds3

About 4-[(1H-benzimidazol-2-ylamino)methyl]phenol

4-[(1H-benzimidazol-2-ylamino)methyl]phenol (PubChem CID 83296982) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[(1H-benzimidazol-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(1H-benzimidazol-2-ylamino)methyl]phenol
PubChem CID83296982
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-[(1H-benzimidazol-2-ylamino)methyl]phenol
SMILESOc1ccc(CNc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H13N3O/c18-11-7-5-10(6-8-11)9-15-14-16-12-3-1-2-4-13(12)17-14/h1-8,18H,9H2,(H2,15,16,17)
InChIKeyVVUTXAUJCXQMIR-UHFFFAOYSA-N
XLogP2.88
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine
CID 83326035
2-[(4-hydroxyphenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 172634498
N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 60923540
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine
CID 141189433
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410298
(1H-benzimidazol-2-ylamino)methylphosphonic acid
CID 57013853
N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine
CID 115865665
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327

Frequently Asked Questions

What is the IUPAC name of 4-[(1H-benzimidazol-2-ylamino)methyl]phenol?
The IUPAC name of 4-[(1H-benzimidazol-2-ylamino)methyl]phenol (CID 83296982) is 4-[(1H-benzimidazol-2-ylamino)methyl]phenol.
What is the SMILES notation for 4-[(1H-benzimidazol-2-ylamino)methyl]phenol?
The canonical SMILES for 4-[(1H-benzimidazol-2-ylamino)methyl]phenol is Oc1ccc(CNc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-[(1H-benzimidazol-2-ylamino)methyl]phenol?
The InChIKey is VVUTXAUJCXQMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-11-7-5-10(6-8-11)9-15-14-16-12-3-1-2-4-13(12)17-14/h1-8,18H,9H2,(H2,15,16,17).
What are the key properties of 4-[(1H-benzimidazol-2-ylamino)methyl]phenol?
4-[(1H-benzimidazol-2-ylamino)methyl]phenol has a molecular weight of 239.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1H-benzimidazol-2-ylamino)methyl]phenol is sourced from PubChem (CID 83296982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).