1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine

C14H22N4 — CID 55080071

IUPAC1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1CCN(C)C
InChIInChI=1S/C14H22N4/c1-4-5-14-16-12-10-11(15)6-7-13(12)18(14)9-8-17(2)3/h6-7,10H,4-5,8-9,15H2,1-3H3
InChIKeyDBTMIAVQFBPHFW-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.13
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine

1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine (PubChem CID 55080071) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
PubChem CID55080071
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1CCN(C)C
InChIInChI=1S/C14H22N4/c1-4-5-14-16-12-10-11(15)6-7-13(12)18(14)9-8-17(2)3/h6-7,10H,4-5,8-9,15H2,1-3H3
InChIKeyDBTMIAVQFBPHFW-UHFFFAOYSA-N
XLogP2.13
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine (CID 55080071) is 1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine?
The InChIKey is DBTMIAVQFBPHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-5-14-16-12-10-11(15)6-7-13(12)18(14)9-8-17(2)3/h6-7,10H,4-5,8-9,15H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine?
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine has a molecular weight of 246.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 55080071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).