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

C27H31N3 — CID 164912080

IUPAC1-butyl-N-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine
SMILESCCCCn1c(-c2cccc3ccccc23)nc2c(NC3CCCCC3)cccc21
InChIInChI=1S/C27H31N3/c1-2-3-19-30-25-18-10-17-24(28-21-13-5-4-6-14-21)26(25)29-27(30)23-16-9-12-20-11-7-8-15-22(20)23/h7-12,15-18,21,28H,2-6,13-14,19H2,1H3
InChIKeyNTFPJKHKDXUMNX-UHFFFAOYSA-N
MW397.57 g/mol
LogP7.40
Rot. Bonds6

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

1-butyl-N-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine (PubChem CID 164912080) has the molecular formula C27H31N3 and a molecular weight of 397.57 g/mol. Its IUPAC name is 1-butyl-N-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine.

Molecular Properties

Compound Name1-butyl-N-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine
PubChem CID164912080
Molecular FormulaC27H31N3
Molecular Weight397.57 g/mol
Exact Mass397.25
IUPAC Name1-butyl-N-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine
SMILESCCCCn1c(-c2cccc3ccccc23)nc2c(NC3CCCCC3)cccc21
InChIInChI=1S/C27H31N3/c1-2-3-19-30-25-18-10-17-24(28-21-13-5-4-6-14-21)26(25)29-27(30)23-16-9-12-20-11-7-8-15-22(20)23/h7-12,15-18,21,28H,2-6,13-14,19H2,1H3
InChIKeyNTFPJKHKDXUMNX-UHFFFAOYSA-N
XLogP7.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine
CID 164912027
1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine
CID 164912077
bis((1-butyl-2-naphthalen-1-ylbenzimidazol-4-yl)-naphthalen-1-ylazanide);hafnium(4+);methanidylbenzene
CID 164912076
N-cyclohexyl-9-methylcarbazol-4-amine
CID 135060643
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
N-cyclohexyl-1-methylindol-4-amine
CID 159436359
N-cyclohexyl-9-[3-(dimethylamino)propyl]-2-methyl-8-phenylpurin-6-amine
CID 6605088
6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112867907
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine?
The IUPAC name of 1-butyl-N-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine (CID 164912080) is 1-butyl-N-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine.
What is the SMILES notation for 1-butyl-N-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine?
The canonical SMILES for 1-butyl-N-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine is CCCCn1c(-c2cccc3ccccc23)nc2c(NC3CCCCC3)cccc21.
What is the InChIKey of 1-butyl-N-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine?
The InChIKey is NTFPJKHKDXUMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3/c1-2-3-19-30-25-18-10-17-24(28-21-13-5-4-6-14-21)26(25)29-27(30)23-16-9-12-20-11-7-8-15-22(20)23/h7-12,15-18,21,28H,2-6,13-14,19H2,1H3.
What are the key properties of 1-butyl-N-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine?
1-butyl-N-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine has a molecular weight of 397.57 g/mol, XLogP of 7.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine is sourced from PubChem (CID 164912080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).