N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine

C14H21N3 — CID 43192433

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
SMILESCCCCNC(C)c1nc2ccccc2n1C
InChIInChI=1S/C14H21N3/c1-4-5-10-15-11(2)14-16-12-8-6-7-9-13(12)17(14)3/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyRYBZELRTZBNXMK-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.02
Rot. Bonds5

About N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine

N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine (PubChem CID 43192433) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
PubChem CID43192433
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
SMILESCCCCNC(C)c1nc2ccccc2n1C
InChIInChI=1S/C14H21N3/c1-4-5-10-15-11(2)14-16-12-8-6-7-9-13(12)17(14)3/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyRYBZELRTZBNXMK-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.02
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

4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine
CID 43194800
N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine
CID 62197068
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115898295
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 113350156
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115898723
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea
CID 83108527
2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine
CID 103911042
N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43823447
(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28671585

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine (CID 43192433) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine is CCCCNC(C)c1nc2ccccc2n1C.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine?
The InChIKey is RYBZELRTZBNXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-5-10-15-11(2)14-16-12-8-6-7-9-13(12)17(14)3/h6-9,11,15H,4-5,10H2,1-3H3.
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine?
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 43192433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).