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

C21H21N3 — CID 4697787

IUPAC1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine
SMILESCCCCn1c(Nc2cccc3ccccc23)nc2ccccc21
InChIInChI=1S/C21H21N3/c1-2-3-15-24-20-14-7-6-12-19(20)23-21(24)22-18-13-8-10-16-9-4-5-11-17(16)18/h4-14H,2-3,15H2,1H3,(H,22,23)
InChIKeyQCPMXQMJSHDRBA-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.73
Rot. Bonds5

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

1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine (PubChem CID 4697787) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine
PubChem CID4697787
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine
SMILESCCCCn1c(Nc2cccc3ccccc23)nc2ccccc21
InChIInChI=1S/C21H21N3/c1-2-3-15-24-20-14-7-6-12-19(20)23-21(24)22-18-13-8-10-16-9-4-5-11-17(16)18/h4-14H,2-3,15H2,1H3,(H,22,23)
InChIKeyQCPMXQMJSHDRBA-UHFFFAOYSA-N
XLogP5.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-1-propylbenzimidazol-2-amine
CID 829853
(1-pentylbenzimidazol-2-yl)hydrazine
CID 4136867
1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine
CID 164912077
1-butyl-N-naphthalen-1-yltetrazol-5-amine
CID 165418883
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine
CID 4697797
4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine
CID 4697855
2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine
CID 91927564
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine
CID 4265206
N-(1H-indol-3-ylmethyl)-1-pentylbenzimidazol-2-amine
CID 4205346
2-anilino-1-butylquinazolin-4-one
CID 23731821

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine?
The IUPAC name of 1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine (CID 4697787) is 1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine?
The canonical SMILES for 1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine is CCCCn1c(Nc2cccc3ccccc23)nc2ccccc21.
What is the InChIKey of 1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine?
The InChIKey is QCPMXQMJSHDRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c1-2-3-15-24-20-14-7-6-12-19(20)23-21(24)22-18-13-8-10-16-9-4-5-11-17(16)18/h4-14H,2-3,15H2,1H3,(H,22,23).
What are the key properties of 1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine?
1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine has a molecular weight of 315.42 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-naphthalen-1-ylbenzimidazol-2-amine is sourced from PubChem (CID 4697787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).