1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine

C31H27N3 — CID 164912077

IUPAC1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine
SMILESCCCCn1c(-c2cccc3ccccc23)nc2c(Nc3cccc4ccccc34)cccc21
InChIInChI=1S/C31H27N3/c1-2-3-21-34-29-20-10-19-28(32-27-18-9-14-23-12-5-7-16-25(23)27)30(29)33-31(34)26-17-8-13-22-11-4-6-15-24(22)26/h4-20,32H,2-3,21H2,1H3
InChIKeyQQMRSMQYLJOABC-UHFFFAOYSA-N
MW441.58 g/mol
LogP8.55
Rot. Bonds6

About 1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine

1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine (PubChem CID 164912077) has the molecular formula C31H27N3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine.

Molecular Properties

Compound Name1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine
PubChem CID164912077
Molecular FormulaC31H27N3
Molecular Weight441.58 g/mol
Exact Mass441.22
IUPAC Name1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine
SMILESCCCCn1c(-c2cccc3ccccc23)nc2c(Nc3cccc4ccccc34)cccc21
InChIInChI=1S/C31H27N3/c1-2-3-21-34-29-20-10-19-28(32-27-18-9-14-23-12-5-7-16-25(23)27)30(29)33-31(34)26-17-8-13-22-11-4-6-15-24(22)26/h4-20,32H,2-3,21H2,1H3
InChIKeyQQMRSMQYLJOABC-UHFFFAOYSA-N
XLogP8.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 58.55
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-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine
CID 164912080
1-butyl-2-(3,6-ditert-butylcarbazol-9-yl)-N-naphthalen-1-ylbenzimidazol-4-amine
CID 164912118
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-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine
CID 164912050
1-butyl-N-naphthalen-1-yltetrazol-5-amine
CID 165418883
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-(3-tert-butyl-6-methylcarbazol-9-yl)-N-(3,5-ditert-butylphenyl)benzimidazol-4-amine
CID 164912001
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-anilino-1-butylquinazolin-4-one
CID 23731821

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine?
The IUPAC name of 1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine (CID 164912077) is 1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine.
What is the SMILES notation for 1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine?
The canonical SMILES for 1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine is CCCCn1c(-c2cccc3ccccc23)nc2c(Nc3cccc4ccccc34)cccc21.
What is the InChIKey of 1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine?
The InChIKey is QQMRSMQYLJOABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3/c1-2-3-21-34-29-20-10-19-28(32-27-18-9-14-23-12-5-7-16-25(23)27)30(29)33-31(34)26-17-8-13-22-11-4-6-15-24(22)26/h4-20,32H,2-3,21H2,1H3.
What are the key properties of 1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine?
1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine has a molecular weight of 441.58 g/mol, XLogP of 8.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine is sourced from PubChem (CID 164912077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).