1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol

C17H27N3O — CID 79757629

IUPAC1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
SMILESCCCn1c(CC(O)CNC(C)(C)C)nc2ccccc21
InChIInChI=1S/C17H27N3O/c1-5-10-20-15-9-7-6-8-14(15)19-16(20)11-13(21)12-18-17(2,3)4/h6-9,13,18,21H,5,10-12H2,1-4H3
InChIKeyMNHGICSESYLUPN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.74
Rot. Bonds6

About 1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol

1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol (PubChem CID 79757629) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
PubChem CID79757629
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
SMILESCCCn1c(CC(O)CNC(C)(C)C)nc2ccccc21
InChIInChI=1S/C17H27N3O/c1-5-10-20-15-9-7-6-8-14(15)19-16(20)11-13(21)12-18-17(2,3)4/h6-9,13,18,21H,5,10-12H2,1-4H3
InChIKeyMNHGICSESYLUPN-UHFFFAOYSA-N
XLogP2.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butylsulfanyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79756075
1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754270
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
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
1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 103170121
5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
CID 103089740
N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 105007167
[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105215870
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol
CID 79753325
2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol
CID 79757616

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol (CID 79757629) is 1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol is CCCn1c(CC(O)CNC(C)(C)C)nc2ccccc21.
What is the InChIKey of 1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is MNHGICSESYLUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-10-20-15-9-7-6-8-14(15)19-16(20)11-13(21)12-18-17(2,3)4/h6-9,13,18,21H,5,10-12H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol?
1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 289.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79757629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).