4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol

C15H23N3O — CID 79199391

IUPAC4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol
SMILESCCCn1c(CCCCO)nc2cc(CN)ccc21
InChIInChI=1S/C15H23N3O/c1-2-8-18-14-7-6-12(11-16)10-13(14)17-15(18)5-3-4-9-19/h6-7,10,19H,2-5,8-9,11,16H2,1H3
InChIKeyWHHHNDHFTCGCHR-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.22
Rot. Bonds7

About 4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol

4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol (PubChem CID 79199391) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol
PubChem CID79199391
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol
SMILESCCCn1c(CCCCO)nc2cc(CN)ccc21
InChIInChI=1S/C15H23N3O/c1-2-8-18-14-7-6-12(11-16)10-13(14)17-15(18)5-3-4-9-19/h6-7,10,19H,2-5,8-9,11,16H2,1H3
InChIKeyWHHHNDHFTCGCHR-UHFFFAOYSA-N
XLogP2.22
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.22
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

[2-(methoxymethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 65037745
3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol
CID 79200194
3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 82332280
3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
CID 43822520
(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine
CID 82333503
N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333668
(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine
CID 82990601
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661
(1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine
CID 65037611
(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
CID 65038224
3-(1-pentyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334105
3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308503

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol?
The IUPAC name of 4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol (CID 79199391) is 4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol.
What is the SMILES notation for 4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol?
The canonical SMILES for 4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol is CCCn1c(CCCCO)nc2cc(CN)ccc21.
What is the InChIKey of 4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol?
The InChIKey is WHHHNDHFTCGCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-8-18-14-7-6-12(11-16)10-13(14)17-15(18)5-3-4-9-19/h6-7,10,19H,2-5,8-9,11,16H2,1H3.
What are the key properties of 4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol?
4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol is sourced from PubChem (CID 79199391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).