3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine

C16H25N3 — CID 54906185

IUPAC3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
SMILESCCCn1c(CNCCC(C)C)nc2ccccc21
InChIInChI=1S/C16H25N3/c1-4-11-19-15-8-6-5-7-14(15)18-16(19)12-17-10-9-13(2)3/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyKXNJAXLFLGBJDF-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.58
Rot. Bonds7

About 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine

3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine (PubChem CID 54906185) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
PubChem CID54906185
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
SMILESCCCn1c(CNCCC(C)C)nc2ccccc21
InChIInChI=1S/C16H25N3/c1-4-11-19-15-8-6-5-7-14(15)18-16(19)12-17-10-9-13(2)3/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyKXNJAXLFLGBJDF-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
N-[(1-benzylbenzimidazol-2-yl)methyl]-3-methylbutan-1-amine
CID 134084344
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 61019367
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 106396239
N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine
CID 134084304
N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922
1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 63299001
2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 61034574
3-(4-benzylpiperazin-1-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine
CID 112844244
N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750199
N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79751254

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine (CID 54906185) is 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine is CCCn1c(CNCCC(C)C)nc2ccccc21.
What is the InChIKey of 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine?
The InChIKey is KXNJAXLFLGBJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-11-19-15-8-6-5-7-14(15)18-16(19)12-17-10-9-13(2)3/h5-8,13,17H,4,9-12H2,1-3H3.
What are the key properties of 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine?
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 54906185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).