1-[[(1-methylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol

C19H17N3O — CID 787417

IUPAC1-[[(1-methylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol
SMILESCn1c(NCc2c(O)ccc3ccccc23)nc2ccccc21
InChIInChI=1S/C19H17N3O/c1-22-17-9-5-4-8-16(17)21-19(22)20-12-15-14-7-3-2-6-13(14)10-11-18(15)23/h2-11,23H,12H2,1H3,(H,20,21)
InChIKeyNBYDRGNPINHLKT-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.04
Rot. Bonds3

About 1-[[(1-methylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol

1-[[(1-methylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol (PubChem CID 787417) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[[(1-methylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(1-methylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol
PubChem CID787417
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name1-[[(1-methylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol
SMILESCn1c(NCc2c(O)ccc3ccccc23)nc2ccccc21
InChIInChI=1S/C19H17N3O/c1-22-17-9-5-4-8-16(17)21-19(22)20-12-15-14-7-3-2-6-13(14)10-11-18(15)23/h2-11,23H,12H2,1H3,(H,20,21)
InChIKeyNBYDRGNPINHLKT-UHFFFAOYSA-N
XLogP4.04
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

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CID 155805
4-methyl-2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
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CID 682797
2-[[(1-Prop-2-enylbenzimidazol-2-yl)amino]methyl]phenol
CID 890291
4-Methyl-2-[[(1-propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol
CID 930436
2-(((1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol
CID 1090110
(S)-N-((1-(2-amino-2-oxoethyl)-1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11526885
(S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-N-((1-methyl-1H-benzo[d]imidazol-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11548007
(S)-N-((1-allyl-1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11642336
2-[5-(2-aminoethyl)-2-hydroxy-3-phenylphenyl]-3H-benzimidazole-5-carboximidamide
CID 447506
2-[(1H-benzimidazol-2-ylamino)methyl]-4-methylphenol
CID 787402
2-[[(1-Methylbenzimidazol-2-yl)amino]methyl]-6-prop-2-enylphenol
CID 889915

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(1-methylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol (CID 787417) is 1-[[(1-methylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(1-methylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(1-methylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol is Cn1c(NCc2c(O)ccc3ccccc23)nc2ccccc21.
What is the InChIKey of 1-[[(1-methylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol?
The InChIKey is NBYDRGNPINHLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-22-17-9-5-4-8-16(17)21-19(22)20-12-15-14-7-3-2-6-13(14)10-11-18(15)23/h2-11,23H,12H2,1H3,(H,20,21).
What are the key properties of 1-[[(1-methylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol?
1-[[(1-methylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol has a molecular weight of 303.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methylbenzimidazol-2-yl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 787417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).