4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium

C16H24N3O+ — CID 7366616

IUPAC4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium
SMILESCCCCn1c(C[NH+]2CCOCC2)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-2-3-8-19-15-7-5-4-6-14(15)17-16(19)13-18-9-11-20-12-10-18/h4-7H,2-3,8-13H2,1H3/p+1
InChIKeyHFZGJSKVRSKBRL-UHFFFAOYSA-O
MW274.39 g/mol
LogP1.25
Rot. Bonds5

About 4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium

4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium (PubChem CID 7366616) has the molecular formula C16H24N3O+ and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium
PubChem CID7366616
Molecular FormulaC16H24N3O+
Molecular Weight274.39 g/mol
Exact Mass274.19
IUPAC Name4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium
SMILESCCCCn1c(C[NH+]2CCOCC2)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-2-3-8-19-15-7-5-4-6-14(15)17-16(19)13-18-9-11-20-12-10-18/h4-7H,2-3,8-13H2,1H3/p+1
InChIKeyHFZGJSKVRSKBRL-UHFFFAOYSA-O
XLogP1.25
TPSA31.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]morpholin-4-ium
CID 7425417
1-butyl-2-(2-methylpropyl)benzimidazole
CID 4004972
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
1-ethyl-2-[[4-(4-methylphenyl)piperazin-1-ium-1-yl]methyl]benzimidazole
CID 7005253
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
10-(1-butylbenzimidazol-2-yl)decan-1-amine
CID 92629122
2-(1-butylbenzimidazol-2-yl)ethanethioamide
CID 55244550
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
1-dodecyl-2-(methoxymethyl)benzimidazole
CID 16996870

Frequently Asked Questions

What is the IUPAC name of 4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium?
The IUPAC name of 4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium (CID 7366616) is 4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium.
What is the SMILES notation for 4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium?
The canonical SMILES for 4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium is CCCCn1c(C[NH+]2CCOCC2)nc2ccccc21.
What is the InChIKey of 4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium?
The InChIKey is HFZGJSKVRSKBRL-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23N3O/c1-2-3-8-19-15-7-5-4-6-14(15)17-16(19)13-18-9-11-20-12-10-18/h4-7H,2-3,8-13H2,1H3/p+1.
What are the key properties of 4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium?
4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium has a molecular weight of 274.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium is sourced from PubChem (CID 7366616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).