1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine

C16H25N3 — CID 63104680

IUPAC1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine
SMILESCCc1nc2ccccc2n1CC(NC)C(C)(C)C
InChIInChI=1S/C16H25N3/c1-6-15-18-12-9-7-8-10-13(12)19(15)11-14(17-5)16(2,3)4/h7-10,14,17H,6,11H2,1-5H3
InChIKeyDOWLMUQAIZJWPO-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.23
Rot. Bonds4

About 1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine

1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine (PubChem CID 63104680) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine
PubChem CID63104680
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine
SMILESCCc1nc2ccccc2n1CC(NC)C(C)(C)C
InChIInChI=1S/C16H25N3/c1-6-15-18-12-9-7-8-10-13(12)19(15)11-14(17-5)16(2,3)4/h7-10,14,17H,6,11H2,1-5H3
InChIKeyDOWLMUQAIZJWPO-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
1-[2-(bromomethyl)-3-methylbutyl]-2-ethylbenzimidazole
CID 65011810
3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 63902276
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 105007167
1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole
CID 65014548
3,3-dimethyl-1-(2-propylbenzimidazol-1-yl)butan-2-amine
CID 112632168
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanol
CID 63105059
4-(2-ethylbenzimidazol-1-yl)-3-(propylamino)butan-1-ol
CID 64897574
methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate
CID 63106914
methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate
CID 79629566

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine?
The IUPAC name of 1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine (CID 63104680) is 1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for 1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine is CCc1nc2ccccc2n1CC(NC)C(C)(C)C.
What is the InChIKey of 1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine?
The InChIKey is DOWLMUQAIZJWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-6-15-18-12-9-7-8-10-13(12)19(15)11-14(17-5)16(2,3)4/h7-10,14,17H,6,11H2,1-5H3.
What are the key properties of 1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine?
1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 63104680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).