N-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine

C19H23N3O — CID 134103021

IUPACN-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine
SMILESCCCCOc1ccc(CNn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C19H23N3O/c1-3-4-13-23-17-11-9-16(10-12-17)14-20-22-15(2)21-18-7-5-6-8-19(18)22/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyJIOLSZLBYJZBJB-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.27
Rot. Bonds7

About N-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine

N-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine (PubChem CID 134103021) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine
PubChem CID134103021
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine
SMILESCCCCOc1ccc(CNn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C19H23N3O/c1-3-4-13-23-17-11-9-16(10-12-17)14-20-22-15(2)21-18-7-5-6-8-19(18)22/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyJIOLSZLBYJZBJB-UHFFFAOYSA-N
XLogP4.27
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16998389
1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998302
2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole
CID 23963358
N-[(4-butoxyphenyl)methyl]morpholin-4-amine
CID 83012107
1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine
CID 171051063
3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3827854
1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998310
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482
1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997919
N-[(4-butoxyphenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648036
2-[4-dodecoxy-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylbenzimidazole
CID 71295623
N-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine
CID 116519990

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine?
The IUPAC name of N-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine (CID 134103021) is N-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine is CCCCOc1ccc(CNn2c(C)nc3ccccc32)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine?
The InChIKey is JIOLSZLBYJZBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-4-13-23-17-11-9-16(10-12-17)14-20-22-15(2)21-18-7-5-6-8-19(18)22/h5-12,20H,3-4,13-14H2,1-2H3.
What are the key properties of N-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine?
N-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine has a molecular weight of 309.41 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]-2-methylbenzimidazol-1-amine is sourced from PubChem (CID 134103021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).