4-(2,5-dimethylbenzimidazol-1-yl)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methyl]cyclohexan-1-amine

C26H30F3N3 — CID 59135485

IUPAC4-(2,5-dimethylbenzimidazol-1-yl)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methyl]cyclohexan-1-amine
SMILESCc1ccc2c(c1)nc(C)n2C1CCC(NCC2Cc3ccc(C(F)(F)F)cc3C2)CC1
InChIInChI=1S/C26H30F3N3/c1-16-3-10-25-24(11-16)31-17(2)32(25)23-8-6-22(7-9-23)30-15-18-12-19-4-5-21(26(27,28)29)14-20(19)13-18/h3-5,10-11,14,18,22-23,30H,6-9,12-13,15H2,1-2H3
InChIKeyKVDMASNWDVTZEE-UHFFFAOYSA-N
MW441.54 g/mol
LogP6.16
Rot. Bonds4

About 4-(2,5-dimethylbenzimidazol-1-yl)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methyl]cyclohexan-1-amine

4-(2,5-dimethylbenzimidazol-1-yl)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methyl]cyclohexan-1-amine (PubChem CID 59135485) has the molecular formula C26H30F3N3 and a molecular weight of 441.54 g/mol. Its IUPAC name is 4-(2,5-dimethylbenzimidazol-1-yl)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2,5-dimethylbenzimidazol-1-yl)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methyl]cyclohexan-1-amine
PubChem CID59135485
Molecular FormulaC26H30F3N3
Molecular Weight441.54 g/mol
Exact Mass441.24
IUPAC Name4-(2,5-dimethylbenzimidazol-1-yl)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methyl]cyclohexan-1-amine
SMILESCc1ccc2c(c1)nc(C)n2C1CCC(NCC2Cc3ccc(C(F)(F)F)cc3C2)CC1
InChIInChI=1S/C26H30F3N3/c1-16-3-10-25-24(11-16)31-17(2)32(25)23-8-6-22(7-9-23)30-15-18-12-19-4-5-21(26(27,28)29)14-20(19)13-18/h3-5,10-11,14,18,22-23,30H,6-9,12-13,15H2,1-2H3
InChIKeyKVDMASNWDVTZEE-UHFFFAOYSA-N
XLogP6.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.54
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-((1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl)-Amino)-Benzamidine
CID 445756
2-{3'-[Amino(imino)methyl]biphenyl-4-YL}-1H-benzimidazole-5-carboximidamide
CID 11523228
7-Methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
CID 9815746
7-(2-Methylpropyl)-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
CID 9834889
6,7-Dimethyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
CID 9837478
6-Methyl-7-propyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
CID 9878279
7-Butyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
CID 9899814
6-Methyl-7-(2-methylpropyl)-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
CID 9900094
7-(2,2-Dimethylpropyl)-6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
CID 9900445
7-Propyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
CID 9921125
7-Phenyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
CID 9965385
2-{4'-[amino(Imino)methyl]biphenyl-3-Yl}-1h-Benzimidazole-6-Carboximidamide
CID 11221963

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylbenzimidazol-1-yl)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-(2,5-dimethylbenzimidazol-1-yl)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methyl]cyclohexan-1-amine (CID 59135485) is 4-(2,5-dimethylbenzimidazol-1-yl)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-(2,5-dimethylbenzimidazol-1-yl)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-(2,5-dimethylbenzimidazol-1-yl)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methyl]cyclohexan-1-amine is Cc1ccc2c(c1)nc(C)n2C1CCC(NCC2Cc3ccc(C(F)(F)F)cc3C2)CC1.
What is the InChIKey of 4-(2,5-dimethylbenzimidazol-1-yl)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methyl]cyclohexan-1-amine?
The InChIKey is KVDMASNWDVTZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3/c1-16-3-10-25-24(11-16)31-17(2)32(25)23-8-6-22(7-9-23)30-15-18-12-19-4-5-21(26(27,28)29)14-20(19)13-18/h3-5,10-11,14,18,22-23,30H,6-9,12-13,15H2,1-2H3.
What are the key properties of 4-(2,5-dimethylbenzimidazol-1-yl)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methyl]cyclohexan-1-amine?
4-(2,5-dimethylbenzimidazol-1-yl)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methyl]cyclohexan-1-amine has a molecular weight of 441.54 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylbenzimidazol-1-yl)-N-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 59135485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).