2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine

C15H23N3 — CID 55244357

IUPAC2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
SMILESCC(C)(C)CCn1c(CCN)nc2ccccc21
InChIInChI=1S/C15H23N3/c1-15(2,3)9-11-18-13-7-5-4-6-12(13)17-14(18)8-10-16/h4-7H,8-11,16H2,1-3H3
InChIKeySSTBCDBHKQAYQG-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.97
Rot. Bonds4

About 2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine

2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine (PubChem CID 55244357) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
PubChem CID55244357
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
SMILESCC(C)(C)CCn1c(CCN)nc2ccccc21
InChIInChI=1S/C15H23N3/c1-15(2,3)9-11-18-13-7-5-4-6-12(13)17-14(18)8-10-16/h4-7H,8-11,16H2,1-3H3
InChIKeySSTBCDBHKQAYQG-UHFFFAOYSA-N
XLogP2.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanamine
CID 63636171
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine
CID 62389880
2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 55244547
1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one
CID 82899574
2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine
CID 63637024
10-(1-butylbenzimidazol-2-yl)decan-1-amine
CID 92629122
2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine
CID 55244166
2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol
CID 64809415
2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol
CID 115971235
2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 112565050

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine (CID 55244357) is 2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine is CC(C)(C)CCn1c(CCN)nc2ccccc21.
What is the InChIKey of 2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine?
The InChIKey is SSTBCDBHKQAYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-15(2,3)9-11-18-13-7-5-4-6-12(13)17-14(18)8-10-16/h4-7H,8-11,16H2,1-3H3.
What are the key properties of 2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine?
2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine has a molecular weight of 245.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 55244357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).