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

C24H28ClN3 — CID 59135479

IUPAC5-chloro-N-[4-(2,5-dimethylbenzimidazol-1-yl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine
SMILESCc1ccc2c(c1)nc(C)n2C1CCC(NC2Cc3ccc(Cl)cc3C2)CC1
InChIInChI=1S/C24H28ClN3/c1-15-3-10-24-23(11-15)26-16(2)28(24)22-8-6-20(7-9-22)27-21-13-17-4-5-19(25)12-18(17)14-21/h3-5,10-12,20-22,27H,6-9,13-14H2,1-2H3
InChIKeyFPALTSJFHHJHDH-UHFFFAOYSA-N
MW393.96 g/mol
LogP5.55
Rot. Bonds3

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

5-chloro-N-[4-(2,5-dimethylbenzimidazol-1-yl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 59135479) has the molecular formula C24H28ClN3 and a molecular weight of 393.96 g/mol. Its IUPAC name is 5-chloro-N-[4-(2,5-dimethylbenzimidazol-1-yl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-[4-(2,5-dimethylbenzimidazol-1-yl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID59135479
Molecular FormulaC24H28ClN3
Molecular Weight393.96 g/mol
Exact Mass393.20
IUPAC Name5-chloro-N-[4-(2,5-dimethylbenzimidazol-1-yl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine
SMILESCc1ccc2c(c1)nc(C)n2C1CCC(NC2Cc3ccc(Cl)cc3C2)CC1
InChIInChI=1S/C24H28ClN3/c1-15-3-10-24-23(11-15)26-16(2)28(24)22-8-6-20(7-9-22)27-21-13-17-4-5-19(25)12-18(17)14-21/h3-5,10-12,20-22,27H,6-9,13-14H2,1-2H3
InChIKeyFPALTSJFHHJHDH-UHFFFAOYSA-N
XLogP5.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.96
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2,5-dimethylbenzimidazol-1-yl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-[4-(2,5-dimethylbenzimidazol-1-yl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine (CID 59135479) is 5-chloro-N-[4-(2,5-dimethylbenzimidazol-1-yl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-[4-(2,5-dimethylbenzimidazol-1-yl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-[4-(2,5-dimethylbenzimidazol-1-yl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine is Cc1ccc2c(c1)nc(C)n2C1CCC(NC2Cc3ccc(Cl)cc3C2)CC1.
What is the InChIKey of 5-chloro-N-[4-(2,5-dimethylbenzimidazol-1-yl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is FPALTSJFHHJHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3/c1-15-3-10-24-23(11-15)26-16(2)28(24)22-8-6-20(7-9-22)27-21-13-17-4-5-19(25)12-18(17)14-21/h3-5,10-12,20-22,27H,6-9,13-14H2,1-2H3.
What are the key properties of 5-chloro-N-[4-(2,5-dimethylbenzimidazol-1-yl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-[4-(2,5-dimethylbenzimidazol-1-yl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 393.96 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(2,5-dimethylbenzimidazol-1-yl)cyclohexyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 59135479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).