4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine

C16H25N3 — CID 79750722

IUPAC4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCc1nc2ccccc2n1C
InChIInChI=1S/C16H25N3/c1-13(2)12-17-11-7-6-10-16-18-14-8-4-5-9-15(14)19(16)3/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3
InChIKeyGWLRJEDOFQAJCO-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.14
Rot. Bonds7

About 4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine

4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 79750722) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID79750722
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCc1nc2ccccc2n1C
InChIInChI=1S/C16H25N3/c1-13(2)12-17-11-7-6-10-16-18-14-8-4-5-9-15(14)19(16)3/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3
InChIKeyGWLRJEDOFQAJCO-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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

3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750882
1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine
CID 83961987
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
CID 83962059
2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine
CID 115970737
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
CID 79750517
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 83962036

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine (CID 79750722) is 4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCCCc1nc2ccccc2n1C.
What is the InChIKey of 4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is GWLRJEDOFQAJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13(2)12-17-11-7-6-10-16-18-14-8-4-5-9-15(14)19(16)3/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3.
What are the key properties of 4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine?
4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 79750722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).