2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol

C16H25N3O — CID 115971237

IUPAC2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol
SMILESCCCNC(CO)Cn1c(CCC)nc2ccccc21
InChIInChI=1S/C16H25N3O/c1-3-7-16-18-14-8-5-6-9-15(14)19(16)11-13(12-20)17-10-4-2/h5-6,8-9,13,17,20H,3-4,7,10-12H2,1-2H3
InChIKeyDPRUUQYNQXKFKO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.35
Rot. Bonds8

About 2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol

2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol (PubChem CID 115971237) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol
PubChem CID115971237
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol
SMILESCCCNC(CO)Cn1c(CCC)nc2ccccc21
InChIInChI=1S/C16H25N3O/c1-3-7-16-18-14-8-5-6-9-15(14)19(16)11-13(12-20)17-10-4-2/h5-6,8-9,13,17,20H,3-4,7,10-12H2,1-2H3
InChIKeyDPRUUQYNQXKFKO-UHFFFAOYSA-N
XLogP2.35
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-(2-propylbenzimidazol-1-yl)pentan-2-amine
CID 115970703
4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol
CID 64897574
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate
CID 115970954
1-methoxy-3-(2-propylbenzimidazol-1-yl)propan-2-ol
CID 112568352
N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632150
3,3-dimethyl-1-(2-propylbenzimidazol-1-yl)butan-2-amine
CID 112632168
3-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]butane-1-thiol
CID 112632540
(2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 93450480
3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 2945571
1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
CID 79756659
N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 115569298

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol?
The IUPAC name of 2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol (CID 115971237) is 2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol?
The canonical SMILES for 2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol is CCCNC(CO)Cn1c(CCC)nc2ccccc21.
What is the InChIKey of 2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol?
The InChIKey is DPRUUQYNQXKFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-7-16-18-14-8-5-6-9-15(14)19(16)11-13(12-20)17-10-4-2/h5-6,8-9,13,17,20H,3-4,7,10-12H2,1-2H3.
What are the key properties of 2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol?
2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol has a molecular weight of 275.40 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 115971237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).