N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine

C18H25N3O — CID 82335326

IUPACN-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine
SMILESC#CCn1c(CCNC(C)C)nc2cc(OC(C)C)ccc21
InChIInChI=1S/C18H25N3O/c1-6-11-21-17-8-7-15(22-14(4)5)12-16(17)20-18(21)9-10-19-13(2)3/h1,7-8,12-14,19H,9-11H2,2-5H3
InChIKeyFXGNDSBHMSYANS-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.00
Rot. Bonds7

About N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine

N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine (PubChem CID 82335326) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine
PubChem CID82335326
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine
SMILESC#CCn1c(CCNC(C)C)nc2cc(OC(C)C)ccc21
InChIInChI=1S/C18H25N3O/c1-6-11-21-17-8-7-15(22-14(4)5)12-16(17)20-18(21)9-10-19-13(2)3/h1,7-8,12-14,19H,9-11H2,2-5H3
InChIKeyFXGNDSBHMSYANS-UHFFFAOYSA-N
XLogP3.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82335322
3-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)propan-1-amine
CID 82335226
N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 82332273
N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine
CID 82335320
3-(5-methoxy-1-prop-2-ynylbenzimidazol-2-yl)propanoic acid
CID 82334272
3-(5-methoxy-1-prop-2-ynylbenzimidazol-2-yl)propan-1-amine
CID 82334293
2-piperidin-4-yl-5-propan-2-yloxy-1-prop-2-ynylbenzimidazole
CID 82335355
3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine
CID 82335223
(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)methanethiol
CID 82335413
(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)methanethiol
CID 82335418
2-(5-propan-2-yl-1-prop-2-ynylbenzimidazol-2-yl)ethanethiol
CID 82334227
N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine
CID 82333691

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine (CID 82335326) is N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine is C#CCn1c(CCNC(C)C)nc2cc(OC(C)C)ccc21.
What is the InChIKey of N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine?
The InChIKey is FXGNDSBHMSYANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-6-11-21-17-8-7-15(22-14(4)5)12-16(17)20-18(21)9-10-19-13(2)3/h1,7-8,12-14,19H,9-11H2,2-5H3.
What are the key properties of N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine?
N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine has a molecular weight of 299.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 82335326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).