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

C25H30ClN3 — CID 24952417

IUPACN-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine
SMILESCc1ccc2c(c1)nc(C)n2C1CCC(NCC2Cc3ccc(Cl)cc3C2)CC1
InChIInChI=1S/C25H30ClN3/c1-16-3-10-25-24(11-16)28-17(2)29(25)23-8-6-22(7-9-23)27-15-18-12-19-4-5-21(26)14-20(19)13-18/h3-5,10-11,14,18,22-23,27H,6-9,12-13,15H2,1-2H3
InChIKeyHNBFYJSHZBDBEP-UHFFFAOYSA-N
MW407.99 g/mol
LogP5.79
Rot. Bonds4

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

N-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine (PubChem CID 24952417) has the molecular formula C25H30ClN3 and a molecular weight of 407.99 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine
PubChem CID24952417
Molecular FormulaC25H30ClN3
Molecular Weight407.99 g/mol
Exact Mass407.21
IUPAC NameN-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine
SMILESCc1ccc2c(c1)nc(C)n2C1CCC(NCC2Cc3ccc(Cl)cc3C2)CC1
InChIInChI=1S/C25H30ClN3/c1-16-3-10-25-24(11-16)28-17(2)29(25)23-8-6-22(7-9-23)27-15-18-12-19-4-5-21(26)14-20(19)13-18/h3-5,10-11,14,18,22-23,27H,6-9,12-13,15H2,1-2H3
InChIKeyHNBFYJSHZBDBEP-UHFFFAOYSA-N
XLogP5.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.99
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
CID 2949939
1-(4-chlorobenzyl)-5,6-dimethyl-1H-benzimidazole
CID 683409
1-(3,4-Dichlorobenzyl)-7-Phenyl-1h-Benzimidazol-2-Amine
CID 42627579
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
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-Phenyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
CID 9965385
2-(4-chlorophenyl)-1-{3-[4-(3-acetylaminophenyl)piperidin-1-yl]propyl}-1H-benzimidazole
CID 25058425
1-(4-chlorophenyl)-N-[[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]methyl]-2,2,2-trifluoroethanamine
CID 146318337
1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814242
1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine
CID 134814243

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine?
The IUPAC name of N-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine (CID 24952417) is N-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine is Cc1ccc2c(c1)nc(C)n2C1CCC(NCC2Cc3ccc(Cl)cc3C2)CC1.
What is the InChIKey of N-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine?
The InChIKey is HNBFYJSHZBDBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3/c1-16-3-10-25-24(11-16)28-17(2)29(25)23-8-6-22(7-9-23)27-15-18-12-19-4-5-21(26)14-20(19)13-18/h3-5,10-11,14,18,22-23,27H,6-9,12-13,15H2,1-2H3.
What are the key properties of N-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine?
N-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine has a molecular weight of 407.99 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-4-(2,5-dimethylbenzimidazol-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 24952417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).