1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine

C18H28N4 — CID 82167764

IUPAC1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine
SMILESCCn1c(C2CCN(CC(C)(C)N)CC2)nc2ccccc21
InChIInChI=1S/C18H28N4/c1-4-22-16-8-6-5-7-15(16)20-17(22)14-9-11-21(12-10-14)13-18(2,3)19/h5-8,14H,4,9-13,19H2,1-3H3
InChIKeyHVKARBOJIUHEGP-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.97
Rot. Bonds4

About 1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine

1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine (PubChem CID 82167764) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine
PubChem CID82167764
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine
SMILESCCn1c(C2CCN(CC(C)(C)N)CC2)nc2ccccc21
InChIInChI=1S/C18H28N4/c1-4-22-16-8-6-5-7-15(16)20-17(22)14-9-11-21(12-10-14)13-18(2,3)19/h5-8,14H,4,9-13,19H2,1-3H3
InChIKeyHVKARBOJIUHEGP-UHFFFAOYSA-N
XLogP2.97
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-piperidin-4-ylbenzimidazole
CID 20983587
2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine
CID 82167730
2-methyl-1-(2-methylbenzimidazol-1-yl)propan-2-amine
CID 82144523
1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol
CID 121452091
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride
CID 120851115
3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane
CID 145335496
2-(2,3-dihydro-1H-indol-2-yl)-1-ethylbenzimidazole
CID 43325776
4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline
CID 82150076
(2S)-2-[[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 97095427
(4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136839

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine (CID 82167764) is 1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine is CCn1c(C2CCN(CC(C)(C)N)CC2)nc2ccccc21.
What is the InChIKey of 1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine?
The InChIKey is HVKARBOJIUHEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-4-22-16-8-6-5-7-15(16)20-17(22)14-9-11-21(12-10-14)13-18(2,3)19/h5-8,14H,4,9-13,19H2,1-3H3.
What are the key properties of 1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine?
1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine has a molecular weight of 300.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 82167764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).