2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-2-phenylethanol

C23H29N3O2 — CID 155548020

IUPAC2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-2-phenylethanol
SMILESOCC(NCc1nc2c(OCC3CCCCC3)cccc2[nH]1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c27-15-20(18-10-5-2-6-11-18)24-14-22-25-19-12-7-13-21(23(19)26-22)28-16-17-8-3-1-4-9-17/h2,5-7,10-13,17,20,24,27H,1,3-4,8-9,14-16H2,(H,25,26)
InChIKeyHUNCTOSXTYHEHJ-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.35
Rot. Bonds8

About 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-2-phenylethanol

2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-2-phenylethanol (PubChem CID 155548020) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-2-phenylethanol
PubChem CID155548020
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-2-phenylethanol
SMILESOCC(NCc1nc2c(OCC3CCCCC3)cccc2[nH]1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c27-15-20(18-10-5-2-6-11-18)24-14-22-25-19-12-7-13-21(23(19)26-22)28-16-17-8-3-1-4-9-17/h2,5-7,10-13,17,20,24,27H,1,3-4,8-9,14-16H2,(H,25,26)
InChIKeyHUNCTOSXTYHEHJ-UHFFFAOYSA-N
XLogP4.35
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-2-phenylethanol?
The IUPAC name of 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-2-phenylethanol (CID 155548020) is 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-2-phenylethanol.
What is the SMILES notation for 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-2-phenylethanol?
The canonical SMILES for 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-2-phenylethanol is OCC(NCc1nc2c(OCC3CCCCC3)cccc2[nH]1)c1ccccc1.
What is the InChIKey of 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-2-phenylethanol?
The InChIKey is HUNCTOSXTYHEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-15-20(18-10-5-2-6-11-18)24-14-22-25-19-12-7-13-21(23(19)26-22)28-16-17-8-3-1-4-9-17/h2,5-7,10-13,17,20,24,27H,1,3-4,8-9,14-16H2,(H,25,26).
What are the key properties of 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-2-phenylethanol?
2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-2-phenylethanol has a molecular weight of 379.50 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-2-phenylethanol is sourced from PubChem (CID 155548020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).