1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine

C15H24N4 — CID 62508219

IUPAC1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine
SMILESCCN(CC)CC(C)n1c(C)nc2cc(N)ccc21
InChIInChI=1S/C15H24N4/c1-5-18(6-2)10-11(3)19-12(4)17-14-9-13(16)7-8-15(14)19/h7-9,11H,5-6,10,16H2,1-4H3
InChIKeyLLIFKFWOTFVALL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.83
Rot. Bonds5

About 1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine

1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine (PubChem CID 62508219) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine
PubChem CID62508219
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine
SMILESCCN(CC)CC(C)n1c(C)nc2cc(N)ccc21
InChIInChI=1S/C15H24N4/c1-5-18(6-2)10-11(3)19-12(4)17-14-9-13(16)7-8-15(14)19/h7-9,11H,5-6,10,16H2,1-4H3
InChIKeyLLIFKFWOTFVALL-UHFFFAOYSA-N
XLogP2.83
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butan-2-yl-2-methylbenzimidazol-5-amine
CID 133190269
1-hexan-3-yl-2-methylbenzimidazol-5-amine
CID 62506241
1-(1-cyclopropylethyl)-2-methylbenzimidazol-5-amine
CID 62507037
1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol
CID 62589068
2-methylbenzimidazole-1,5-diamine
CID 83418174
1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
CID 55080352
1-pentan-2-yl-2-propylbenzimidazol-5-amine
CID 55079982
1-[1-(dimethylamino)-3-methylbutan-2-yl]-2-propylbenzimidazol-5-amine
CID 62508066
2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine
CID 114101961
1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 63498284
(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
CID 62594152
1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine
CID 113458050

Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine?
The IUPAC name of 1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine (CID 62508219) is 1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine.
What is the SMILES notation for 1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine?
The canonical SMILES for 1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine is CCN(CC)CC(C)n1c(C)nc2cc(N)ccc21.
What is the InChIKey of 1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine?
The InChIKey is LLIFKFWOTFVALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-5-18(6-2)10-11(3)19-12(4)17-14-9-13(16)7-8-15(14)19/h7-9,11H,5-6,10,16H2,1-4H3.
What are the key properties of 1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine?
1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine has a molecular weight of 260.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine is sourced from PubChem (CID 62508219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).