1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine

C22H23N3 — CID 164912027

IUPAC1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine
SMILESCCCCn1c(-c2cccc3ccccc23)nc2c(NC)cccc21
InChIInChI=1S/C22H23N3/c1-3-4-15-25-20-14-8-13-19(23-2)21(20)24-22(25)18-12-7-10-16-9-5-6-11-17(16)18/h5-14,23H,3-4,15H2,1-2H3
InChIKeyRNWDSNIEEXASOX-UHFFFAOYSA-N
MW329.45 g/mol
LogP5.70
Rot. Bonds5

About 1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine

1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine (PubChem CID 164912027) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine.

Molecular Properties

Compound Name1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine
PubChem CID164912027
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine
SMILESCCCCn1c(-c2cccc3ccccc23)nc2c(NC)cccc21
InChIInChI=1S/C22H23N3/c1-3-4-15-25-20-14-8-13-19(23-2)21(20)24-22(25)18-12-7-10-16-9-5-6-11-17(16)18/h5-14,23H,3-4,15H2,1-2H3
InChIKeyRNWDSNIEEXASOX-UHFFFAOYSA-N
XLogP5.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine
CID 164912077
1-butyl-N-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine
CID 164912080
bis((1-butyl-2-naphthalen-1-ylbenzimidazol-4-yl)-naphthalen-1-ylazanide);hafnium(4+);methanidylbenzene
CID 164912076
1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine
CID 4697787
1-butyl-2-(3,6-ditert-butylcarbazol-9-yl)-N-naphthalen-1-ylbenzimidazol-4-amine
CID 164912118
1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine
CID 164912050
5-butyl-4-pyren-1-yl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaene
CID 102098271
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
potassium;1-butyl-2-naphthalen-1-yl-4H-benzimidazol-4-ide;1,3-di(propan-2-yl)benzene-2-ide;hafnium;methanidylbenzene
CID 164912011
2-(1-ethylbenzimidazol-2-yl)-N-methylaniline
CID 43142634
9-butyl-N-methylpyrido[3,4-b]indol-1-amine
CID 151947082
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine?
The IUPAC name of 1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine (CID 164912027) is 1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine.
What is the SMILES notation for 1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine?
The canonical SMILES for 1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine is CCCCn1c(-c2cccc3ccccc23)nc2c(NC)cccc21.
What is the InChIKey of 1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine?
The InChIKey is RNWDSNIEEXASOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-3-4-15-25-20-14-8-13-19(23-2)21(20)24-22(25)18-12-7-10-16-9-5-6-11-17(16)18/h5-14,23H,3-4,15H2,1-2H3.
What are the key properties of 1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine?
1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine has a molecular weight of 329.45 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine is sourced from PubChem (CID 164912027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).