N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine

C18H29N3 — CID 82333691

IUPACN-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine
SMILESCCc1ccc2c(c1)nc(CCNC(C)C)n2CC(C)C
InChIInChI=1S/C18H29N3/c1-6-15-7-8-17-16(11-15)20-18(9-10-19-14(4)5)21(17)12-13(2)3/h7-8,11,13-14,19H,6,9-10,12H2,1-5H3
InChIKeyUPODLPXOOFDQSK-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.80
Rot. Bonds7

About N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine

N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine (PubChem CID 82333691) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine
PubChem CID82333691
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine
SMILESCCc1ccc2c(c1)nc(CCNC(C)C)n2CC(C)C
InChIInChI=1S/C18H29N3/c1-6-15-7-8-17-16(11-15)20-18(9-10-19-14(4)5)21(17)12-13(2)3/h7-8,11,13-14,19H,6,9-10,12H2,1-5H3
InChIKeyUPODLPXOOFDQSK-UHFFFAOYSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]methanethiol
CID 82333880
N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine
CID 82333660
N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333668
2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine
CID 82333637
N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine
CID 82333656
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476
N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 82332273
2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 82142121
1-(2-methylpropyl)-2-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxylic acid
CID 42817345
N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 82335326
N-[(E)-3-[2-hex-3-enyl-1-[2-(propan-2-ylamino)ethyl]benzimidazol-5-yl]prop-1-enyl]hydroxylamine
CID 151041266
N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82332259

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine (CID 82333691) is N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine is CCc1ccc2c(c1)nc(CCNC(C)C)n2CC(C)C.
What is the InChIKey of N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine?
The InChIKey is UPODLPXOOFDQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-6-15-7-8-17-16(11-15)20-18(9-10-19-14(4)5)21(17)12-13(2)3/h7-8,11,13-14,19H,6,9-10,12H2,1-5H3.
What are the key properties of N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 82333691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).