2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol

C17H26N2O — CID 79753325

IUPAC2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol
SMILESCCCn1c(CC(O)(CC)C(C)C)nc2ccccc21
InChIInChI=1S/C17H26N2O/c1-5-11-19-15-10-8-7-9-14(15)18-16(19)12-17(20,6-2)13(3)4/h7-10,13,20H,5-6,11-12H2,1-4H3
InChIKeyRQAYPMRLDVOSAP-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.79
Rot. Bonds6

About 2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol

2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol (PubChem CID 79753325) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol
PubChem CID79753325
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol
SMILESCCCn1c(CC(O)(CC)C(C)C)nc2ccccc21
InChIInChI=1S/C17H26N2O/c1-5-11-19-15-10-8-7-9-14(15)18-16(19)12-17(20,6-2)13(3)4/h7-10,13,20H,5-6,11-12H2,1-4H3
InChIKeyRQAYPMRLDVOSAP-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754393
trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide
CID 79753961
2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid
CID 79753577
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79757629
3-methoxy-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
CID 116752064
2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 112565050
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 115781923

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol?
The IUPAC name of 2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol (CID 79753325) is 2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol.
What is the SMILES notation for 2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol?
The canonical SMILES for 2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol is CCCn1c(CC(O)(CC)C(C)C)nc2ccccc21.
What is the InChIKey of 2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol?
The InChIKey is RQAYPMRLDVOSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-11-19-15-10-8-7-9-14(15)18-16(19)12-17(20,6-2)13(3)4/h7-10,13,20H,5-6,11-12H2,1-4H3.
What are the key properties of 2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol?
2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol has a molecular weight of 274.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol is sourced from PubChem (CID 79753325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).