3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide

C17H28BrN3O — CID 2852129

IUPAC3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide
SMILESBr.CCCCCCCn1c(NCCCO)nc2ccccc21
InChIInChI=1S/C17H27N3O.BrH/c1-2-3-4-5-8-13-20-16-11-7-6-10-15(16)19-17(20)18-12-9-14-21;/h6-7,10-11,21H,2-5,8-9,12-14H2,1H3,(H,18,19);1H
InChIKeyAANCOSKYJVYQSO-UHFFFAOYSA-N
MW370.34 g/mol
LogP4.38
Rot. Bonds10

About 3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide

3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide (PubChem CID 2852129) has the molecular formula C17H28BrN3O and a molecular weight of 370.34 g/mol. Its IUPAC name is 3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide.

Molecular Properties

Compound Name3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide
PubChem CID2852129
Molecular FormulaC17H28BrN3O
Molecular Weight370.34 g/mol
Exact Mass369.14
IUPAC Name3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide
SMILESBr.CCCCCCCn1c(NCCCO)nc2ccccc21
InChIInChI=1S/C17H27N3O.BrH/c1-2-3-4-5-8-13-20-16-11-7-6-10-15(16)19-17(20)18-12-9-14-21;/h6-7,10-11,21H,2-5,8-9,12-14H2,1H3,(H,18,19);1H
InChIKeyAANCOSKYJVYQSO-UHFFFAOYSA-N
XLogP4.38
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 4697809
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(1-pentylbenzimidazol-2-yl)hydrazine
CID 4136867
3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol
CID 43828964
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone
CID 2850068
3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol
CID 82359483
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
N-(2-chloroethyl)-1-propylbenzimidazol-2-amine
CID 3066877
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 2850347
4-chloro-2-[[(1-hexylbenzimidazol-2-yl)amino]methyl]phenol
CID 4592910
2-tert-butyl-1-pentylbenzimidazole
CID 17000368
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010

Frequently Asked Questions

What is the IUPAC name of 3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide?
The IUPAC name of 3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide (CID 2852129) is 3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide.
What is the SMILES notation for 3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide?
The canonical SMILES for 3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide is Br.CCCCCCCn1c(NCCCO)nc2ccccc21.
What is the InChIKey of 3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide?
The InChIKey is AANCOSKYJVYQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.BrH/c1-2-3-4-5-8-13-20-16-11-7-6-10-15(16)19-17(20)18-12-9-14-21;/h6-7,10-11,21H,2-5,8-9,12-14H2,1H3,(H,18,19);1H.
What are the key properties of 3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide?
3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide has a molecular weight of 370.34 g/mol, XLogP of 4.38, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide is sourced from PubChem (CID 2852129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).