2-[5-chloro-1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)cyclohexyl]benzimidazol-2-yl]propan-2-ol

C26H32ClN3O — CID 24952056

IUPAC2-[5-chloro-1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)cyclohexyl]benzimidazol-2-yl]propan-2-ol
SMILESCC(C)(O)c1nc2cc(Cl)ccc2n1C1CCC(NCC2Cc3ccccc3C2)CC1
InChIInChI=1S/C26H32ClN3O/c1-26(2,31)25-29-23-15-20(27)7-12-24(23)30(25)22-10-8-21(9-11-22)28-16-17-13-18-5-3-4-6-19(18)14-17/h3-7,12,15,17,21-22,28,31H,8-11,13-14,16H2,1-2H3
InChIKeyGLRDPMBWLXNFHJ-UHFFFAOYSA-N
MW438.02 g/mol
LogP5.41
Rot. Bonds5

About 2-[5-chloro-1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)cyclohexyl]benzimidazol-2-yl]propan-2-ol

2-[5-chloro-1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)cyclohexyl]benzimidazol-2-yl]propan-2-ol (PubChem CID 24952056) has the molecular formula C26H32ClN3O and a molecular weight of 438.02 g/mol. Its IUPAC name is 2-[5-chloro-1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)cyclohexyl]benzimidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-chloro-1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)cyclohexyl]benzimidazol-2-yl]propan-2-ol
PubChem CID24952056
Molecular FormulaC26H32ClN3O
Molecular Weight438.02 g/mol
Exact Mass437.22
IUPAC Name2-[5-chloro-1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)cyclohexyl]benzimidazol-2-yl]propan-2-ol
SMILESCC(C)(O)c1nc2cc(Cl)ccc2n1C1CCC(NCC2Cc3ccccc3C2)CC1
InChIInChI=1S/C26H32ClN3O/c1-26(2,31)25-29-23-15-20(27)7-12-24(23)30(25)22-10-8-21(9-11-22)28-16-17-13-18-5-3-4-6-19(18)14-17/h3-7,12,15,17,21-22,28,31H,8-11,13-14,16H2,1-2H3
InChIKeyGLRDPMBWLXNFHJ-UHFFFAOYSA-N
XLogP5.41
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.02
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)cyclohexyl]benzimidazol-2-yl]propan-2-ol?
The IUPAC name of 2-[5-chloro-1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)cyclohexyl]benzimidazol-2-yl]propan-2-ol (CID 24952056) is 2-[5-chloro-1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)cyclohexyl]benzimidazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-chloro-1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)cyclohexyl]benzimidazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-chloro-1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)cyclohexyl]benzimidazol-2-yl]propan-2-ol is CC(C)(O)c1nc2cc(Cl)ccc2n1C1CCC(NCC2Cc3ccccc3C2)CC1.
What is the InChIKey of 2-[5-chloro-1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)cyclohexyl]benzimidazol-2-yl]propan-2-ol?
The InChIKey is GLRDPMBWLXNFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O/c1-26(2,31)25-29-23-15-20(27)7-12-24(23)30(25)22-10-8-21(9-11-22)28-16-17-13-18-5-3-4-6-19(18)14-17/h3-7,12,15,17,21-22,28,31H,8-11,13-14,16H2,1-2H3.
What are the key properties of 2-[5-chloro-1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)cyclohexyl]benzimidazol-2-yl]propan-2-ol?
2-[5-chloro-1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)cyclohexyl]benzimidazol-2-yl]propan-2-ol has a molecular weight of 438.02 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)cyclohexyl]benzimidazol-2-yl]propan-2-ol is sourced from PubChem (CID 24952056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).