2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol

C18H28N2O — CID 79757616

IUPAC2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol
SMILESCCCn1c(CCCC(O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C18H28N2O/c1-5-13-20-15-10-7-6-9-14(15)19-17(20)12-8-11-16(21)18(2,3)4/h6-7,9-10,16,21H,5,8,11-13H2,1-4H3
InChIKeyYNCMJHGTAQULCE-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.18
Rot. Bonds6

About 2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol

2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol (PubChem CID 79757616) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol
PubChem CID79757616
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol
SMILESCCCn1c(CCCC(O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C18H28N2O/c1-5-13-20-15-10-7-6-9-14(15)19-17(20)12-8-11-16(21)18(2,3)4/h6-7,9-10,16,21H,5,8,11-13H2,1-4H3
InChIKeyYNCMJHGTAQULCE-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol
CID 79750581
N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 170866848
3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
CID 116752064
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802
N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750199
N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79751254
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol?
The IUPAC name of 2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol (CID 79757616) is 2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol.
What is the SMILES notation for 2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol?
The canonical SMILES for 2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol is CCCn1c(CCCC(O)C(C)(C)C)nc2ccccc21.
What is the InChIKey of 2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol?
The InChIKey is YNCMJHGTAQULCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-13-20-15-10-7-6-9-14(15)19-17(20)12-8-11-16(21)18(2,3)4/h6-7,9-10,16,21H,5,8,11-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol?
2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol has a molecular weight of 288.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol is sourced from PubChem (CID 79757616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).