N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine

C18H21N3O — CID 133409737

IUPACN-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
SMILESCCCOCc1ccccc1CNc1nc2ccccc2[nH]1
InChIInChI=1S/C18H21N3O/c1-2-11-22-13-15-8-4-3-7-14(15)12-19-18-20-16-9-5-6-10-17(16)21-18/h3-10H,2,11-13H2,1H3,(H2,19,20,21)
InChIKeyGOWQEAANKROXKU-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.10
Rot. Bonds7

About N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine

N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine (PubChem CID 133409737) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
PubChem CID133409737
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
SMILESCCCOCc1ccccc1CNc1nc2ccccc2[nH]1
InChIInChI=1S/C18H21N3O/c1-2-11-22-13-15-8-4-3-7-14(15)12-19-18-20-16-9-5-6-10-17(16)21-18/h3-10H,2,11-13H2,1H3,(H2,19,20,21)
InChIKeyGOWQEAANKROXKU-UHFFFAOYSA-N
XLogP4.10
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 60923540
N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 154703945
N-[(2,4-dimethylphenyl)methyl]-1H-benzimidazol-2-amine
CID 115143837
N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410366
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine
CID 112550005
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
N-[(2-methyl-3-nitrophenyl)methyl]-1H-benzimidazol-2-amine
CID 103111773
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-benzimidazol-2-amine
CID 113341943
N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine
CID 133409906

Frequently Asked Questions

What is the IUPAC name of N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine (CID 133409737) is N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine is CCCOCc1ccccc1CNc1nc2ccccc2[nH]1.
What is the InChIKey of N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is GOWQEAANKROXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-11-22-13-15-8-4-3-7-14(15)12-19-18-20-16-9-5-6-10-17(16)21-18/h3-10H,2,11-13H2,1H3,(H2,19,20,21).
What are the key properties of N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 295.39 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133409737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).