N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine

C15H23N3 — CID 83961836

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H23N3/c1-12(2)9-11-16-10-5-8-15-17-13-6-3-4-7-14(13)18-15/h3-4,6-7,12,16H,5,8-11H2,1-2H3,(H,17,18)
InChIKeyBGNCORQEUPBHSL-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.13
Rot. Bonds7

About N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine

N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine (PubChem CID 83961836) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
PubChem CID83961836
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H23N3/c1-12(2)9-11-16-10-5-8-15-17-13-6-3-4-7-14(13)18-15/h3-4,6-7,12,16H,5,8-11H2,1-2H3,(H,17,18)
InChIKeyBGNCORQEUPBHSL-UHFFFAOYSA-N
XLogP3.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine
CID 83961835
N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine
CID 83961805
N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride
CID 159780973
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide
CID 46411057
2-[3-(1H-benzimidazol-2-yl)propyl]-1-ethyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978332
4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol
CID 83960714
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-3-(4-methylpentyl)guanidine
CID 111943417

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine (CID 83961836) is N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine is CC(C)CCNCCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine?
The InChIKey is BGNCORQEUPBHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(2)9-11-16-10-5-8-15-17-13-6-3-4-7-14(13)18-15/h3-4,6-7,12,16H,5,8-11H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine?
N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine is sourced from PubChem (CID 83961836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).